-
azulene Molecule
InChIKey CUFNKYGDVFVPHO-UHFFFAOYSA-N
Related Dataset(s)
-
benzenesulfonohydrazide Molecule
InChIKey VJRITMATACIYAF-UHFFFAOYSA-N Molecular Formula C6H8N2O2S
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
-
benzhydrylidenehydrazine Molecule
InChIKey QYCSNMDOZNUZIT-UHFFFAOYSA-N Molecular Formula C13H12N2
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- infrared absorption spectroscopy (IR)
- heteronuclear single quantum coherence (HSQC)
- electron ionisation mass spectrometry (EI-MS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
-
benzo[b][1,4]benzodioxepin-6-one Molecule
InChIKey YCJBWNIROIXYPD-UHFFFAOYSA-N Molecular Formula C13H8O3
Related Dataset(s)
-
bis[4-(4-phenylmethoxybutoxy)phenyl]methanone Molecule
InChIKey XHZHVHMQWMDSMO-UHFFFAOYSA-N Molecular Formula C35H38O5
Related Dataset(s)
-
butan-2-one Molecule
InChIKey ZWEHNKRNPOVVGH-UHFFFAOYSA-N Molecular Formula C4H8O
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 2-BUTANONE; EI-B; MS
- ETHYL METHYL KETONE; EI-B; MS
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- correlation spectroscopy (COSY)
- ethylmethylketone, methyl ethyl ketone, MeSH, Methylethylketone, Butan-2-one, Oxobutane, Ethyl Methyl Ketone, Methyl acetone, MEK, Meetco, EMK, 2-Butanone; LC-ESI-QQ; MS2
- 2-BUTANONE; EI-B; MS
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
-
butyl 4-hydroxybenzoate Molecule
InChIKey QFOHBWFCKVYLES-UHFFFAOYSA-N Molecular Formula C11H14O3
Related Dataset(s)
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
- 94-26-8[13c.dx]
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
- 94-26-8.hmbc
- Butylparaben; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
- 94-26-8.proton
- Butylparaben; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
- Butylparaben; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
- Butylparaben; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
- Butylparaben; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
- Butylparaben; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
- Butylparaben; LC-ESI-QTOF; MS2; CE: Ramp 19.7-29.6 eV; R=35000; [M-H]-
- 94-26-8[hmqc.dx]
- Butylparaben; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
- Butylparaben; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
- 94-26-8[cosy.dx]
- Butylparaben; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
- BUTYL PARA HYDROXY BENZOATE; EI-B; MS
- Butylparaben; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
- BUTYL 4-HYDROXYBENZOATE; EI-B; MS
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
- Butylparaben; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
- Butylparaben; LC-ESI-QTOF; MS2; CE: Ramp 17.8-26.7 eV; R=35000; [M+H]+
- Butylparaben; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- Butylparaben; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- Butylparaben; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
-
butyl prop-2-enoate Molecule
InChIKey CQEYYJKEWSMYFG-UHFFFAOYSA-N Molecular Formula C7H12O2
Related Dataset(s)
- 141-32-2[1h.fid.dx]
- 141-32-2[1h-noesypr.dx]
- butyl acrylate.1d
- butyl acrylate.hsqc
- 141-32-2[cosy.dx]
- 141-32-2[13c-gd.fid.dx]
- BUTYL ACRYLATE; EI-B; MS
- N-BUTYL ACRYLATE; EI-B; MS
- butyl acrylate.cosy
- 141-32-2[13c-gd.dx]
- 141-32-2[13c.fid.dx]
- 141-32-2[13c.dx]
- BUTYL ACRYLATE; CI-B; MS
- 141-32-2[hsqced.ser.dx]
- 141-32-2[hsqced.dx]
- 141-32-2[cosy.ser.dx]
- BUTYL ACRYLATE; EI-B; MS
- 141-32-2[1Hnoesypr.fid.dx]
- butyl acrylate.1d
- 141-32-2[1h.dx]
-
cyclopentanecarbonitrile Molecule
InChIKey SVPZJHKVRMRREG-UHFFFAOYSA-N Molecular Formula C6H9N
Related Dataset(s)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
decane-1,10-diol Molecule
InChIKey FOTKYAAJKYLFFN-UHFFFAOYSA-N Molecular Formula C10H22O2
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1,10-DECANEDIOL; EI-B; MS
- 1,10-DECANEDIOL; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- correlation spectroscopy (COSY)
- 1,10-DECANEDIOL; EI-B; MS
-
diethyl 2-propan-2-ylpropanedioate Molecule
InChIKey BYQFBFWERHXONI-UHFFFAOYSA-N Molecular Formula C10H18O4
Related Dataset(s)
- DIETHYL ISOPROPYLMALONATE; EI-B; MS
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
-
ethane Molecule
InChIKey OTMSDBZUPAUEDD-UHFFFAOYSA-N
Related Dataset(s)
- 1-1A_Figure_1A_coffee_crude_05292024[3]
- ETHANE; EI-B; MS
- SI_Outreach_4_2F_B_2nd_colum_lime_06012024_FULL[3]
- 4-3A_Figure_3D_orange_crude_05292024[1]
- 4-1A_Figure_1D_lemon_crude_05292024[1]
- 3-2A_Figure_2C_tomato_crude_05292024[1]
- Outreach_1_A1_23.3mg_coffee_0.5mL_d6_DMSO_06_04_2024[1]
- SI_Outreach_4_2F_D_2nd_column_lime_05312024[1]
- 1-3A_Figure_3A_green_tea_crude_05292024[1]
- 3-1A_Figure_1C_red_cabbage_crude_CDCl3_05302024[1]
- LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[17]
- SI_Outreach_4_2F_B_2nd_colum_lime_06012024_FULL[5]
- SI_Outreach_4_2K_column_lime_05_30_2024[1]
- 2-3A_Figure_3B_blueberry_crude_d6_DMSO_05302024[1]
- Outreach_4_2F_column_lime_05312024_300[2]
- LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[16]
- 2-1A_Figure_1B_spinach_crude_05292024[1]
- 4-1A_Figure_1D_lemon_crude_05292024[3]
- LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[20]
- Outreach_std_linoleic_acid_05312024[1]
- LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[18]
- SI_Outreach_3_1A_red_cabbage_extract_05_30_2024[1]
- SI_Outreach_4_2G_column_lime_05302024[1]
- 4-2A_Figure_2D_lime_crude_05292024[6]
- 2-3A_Figure_3B_blueberries_crude_CDCl3_05302024[1]
- SI_Outreach_4_2B_column_lime_05302024[1]
- SI_Outreach_5_2A_lemon_meat_05312024[1]
- Outreach_4_2F_column_lime_05312024_300[1]
- 2-2A_Figure_2B_leaves_Mountain_Laurel_tree_crude_05292024[1]
- LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[15]
- SI_Outreach_3_1A_red_cabbage_extract_AcOH_05_30_2024[1]
- SI_Outreach_4_2F_B_2nd_colum_lime_06012024_FULL[6]
- SI_Outreach_5_3A_lime_meat_05312024[1]
- SI_Outreach_4_2E_column_lime_05302024[1]
- 3-3A_Figure_3C_carrots_crude_05292024[1]
- LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[21]
- 1-2A_Figure_2A_black_tea_crude_05292024[1]
- SI_Outreach_4_2J_colum_lime_05302024[1]
- 4-2A_Figure_2D_lime_crude_05292024[7]
- 3-1A_Figure_1C_red_cabbage_crude_d6_DMSO_05302024[1]
- SI_Outreach_4_2F_B_2nd_colum_lime_06012024_FULL[4]
- LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[19]
- SI_Outreach_4_2F_B_2nd_colum_lime_06012024_FULL[1]
- Outreach_4_2K_column_lime_05_30_2024[1]
- 1-1A_Figure_1A_coffee_crude_05292024[2]
- 4-1A_Figure_1D_lemon_crude_05292024[2]
- 1-1A_Figure_1A_coffee_crude_05292024[1]
- 4-2A_Figure_2D_lime_crude_05292024[1]
- SI_Outreach_4_2C_column_lime_05302024[1]
- SI_Outreach_4_2L_colum_lime_05302024[1]
- Outreach_4_2F_column_lime_05312024_300[3]
-
ethyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Molecule
InChIKey KQGQONPKSKUHHT-AWEZNQCLSA-N Molecular Formula C15H18N2O3
Related Dataset(s)
-
ethyl (E)-3-phenylprop-2-enoate Molecule
InChIKey KBEBGUQPQBELIU-CMDGGOBGSA-N Molecular Formula C11H12O2
Related Dataset(s)
- Ethyl cinnamate, 103-36-6[1]
- Ethyl cinnamate, 103-36-6[5]
- ETHYL CINNAMATE; EI-B; MS
- CINNAMIC ACID ETHYL ESTER; EI-B; MS
- Ethyl cinnamate, 103-36-6[10]
- Ethyl cinnamate, 103-36-6[6]
- ETHYL CINNAMATE; EI-B; MS
- ETHYL 3-PHENYL-2-PROPENOATE; EI-B; MS
- ETHYL 3-PHENYL-2-PROPENOATE; CI-B; MS
- ETHYL CINNAMATE; EI-B; MS
- Ethyl cinnamate, 103-36-6[2]
- Ethyl cinnamate, 103-36-6[3]
- Ethyl cinnamate, 103-36-6[4]
-
ethyl (E)-but-2-enoate Molecule
InChIKey ZFDIRQKJPRINOQ-HWKANZROSA-N Molecular Formula C6H10O2
Related Dataset(s)
- CROTONIC ACID ETHYL ESTER; EI-B; MS
- Propyl ethoxy ethyl Des Br[3]
- Propyl ethoxy ethyl Des Br[2]
- ETHYL CROTONATE; EI-B; MS
- Propyl ethoxy ethyl Des Br[4]
- Jena_623-70-1_light[1]
- Propyl ethoxy ethyl Des Br[5]
- CROTONIC ACID ETHYL ESTER; CI-B; MS
- CROTONIC ACID ETHYL ESTER; EI-B; MS
- Jena_623-70-1_light[2]
- Jena_623-70-1_light[4]
- ETHYL CROTONATE; EI-B; MS
- Jena_623-70-1_light[3]
- CROTONIC ACID ETHYL ESTER; EI-B; MS
- Propyl ethoxy ethyl Des Br[6]
- Jena_623-70-1_light[5]
- Jena_623-70-1_light[6]
- Propyl ethoxy ethyl Des Br[1]
-
ethyl 1-(4-methoxyphenyl)-3-(4-phenyltriazol-1-yl)pyrazole-4-carboxylate Molecule
InChIKey UEMJXDBBUGZBJY-UHFFFAOYSA-N Molecular Formula C21H19N5O3
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
-
ethyl 2-[4-cyano-5-[(E)-[di(propan-2-yl)amino]diazenyl]pyrazol-1-yl]acetate Molecule
InChIKey UVXRQPKXJULFTR-ISLYRVAYSA-N Molecular Formula C14H22N6O2
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- infrared absorption spectroscopy (IR)
- mass spectrometry (MS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- infrared absorption spectroscopy (IR)
- fast-atom bombardment mass spectrometry (FABMS)
-
ethyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3,3-dimethylbutanoate Molecule
InChIKey RNWBJOCYFGGMRJ-UHFFFAOYSA-N
Related Dataset(s)
-
ethyl 2-[[1-[(4-fluorophenyl)methyl]indazole-3-carbonyl]amino]-3-methylbutanoate Molecule
InChIKey YOECWCNJGHHTMN-UHFFFAOYSA-N
Related Dataset(s)
-
ethyl 2-acetamido-3-(4-prop-2-enoxyphenyl)propanoate Molecule
InChIKey MBTNHLBOGYEUJA-UHFFFAOYSA-N Molecular Formula C16H21NO4
Related Dataset(s)
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[1]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[10]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[30]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[40]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[20]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[5]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[15]
