-
nfdi4chem-mol9008 (Unknown Molecule) Molecule
InChIKey GNABLGMVEATFIO-WRHYBGTASA-N
Related Dataset(s)
-
nfdi4chem-mol9060 (Unknown Molecule) Molecule
InChIKey ZXYIUOWLVJXPKU-QJTFSOLLSA-N
Related Dataset(s)
- 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6[6]
- 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6[4]
- 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6[7]
- 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6[5]
- 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6[2]
- 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6[8]
- 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6[9]
- 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6[3]
- 6_SODXXI_049_FULL_C19_IMINE_D5_REDUCED_C3_C17_DIACETATE_08_04_2021-CP6[1]
-
nfdi4chem-mol9176 (Unknown Molecule) Molecule
InChIKey XMBAZHDNDXMZKG-DPDCMNJDSA-N
Related Dataset(s)
-
nfdi4chem-mol9407 (Unknown Molecule) Molecule
InChIKey ATNHDLDRLWWWCB-WFJQZQDESA-M
Related Dataset(s)
-
nfdi4chem-mol9422 (Unknown Molecule) Molecule
InChIKey CAFVGZHUXKHLHJ-LDADJPATSA-N
Related Dataset(s)
- 4-Methoxybenzaldehyde-O-triisopropylsilyloxime[14]
- 4-Methoxybenzaldehyde-O-triisopropylsilyloxime[16]
- 4-Methoxybenzaldehyde-O-triisopropylsilyloxime[12]
- 4-Methoxybenzaldehyde-O-triisopropylsilyloxime[10]
- 4-Methoxybenzaldehyde-O-triisopropylsilyloxime[15]
- 4-Methoxybenzaldehyde-O-triisopropylsilyloxime[13]
- 4-Methoxybenzaldehyde-O-triisopropylsilyloxime[11]
-
nfdi4chem-mol9459 (Unknown Molecule) Molecule
InChIKey SZWOAIASPHIEQQ-UHFFFAOYSA-N
Related Dataset(s)
-
nfdi4chem-mol9469 (Unknown Molecule) Molecule
-
nfdi4chem-mol9540 (Unknown Molecule) Molecule
InChIKey TYZBFJHLBYOAAU-CZIZESTLSA-N Molecular Formula C16H21ClN6O2
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- mass spectrometry (MS)
-
nfdi4chem-mol9623 (Unknown Molecule) Molecule
InChIKey XVBBILNJUIHVRO-UHFFFAOYSA-N Molecular Formula C18H14Br2O4
Related Dataset(s)
- correlation spectroscopy (COSY)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- electrospray ionisation quadrupole detection (ESI Q Trap)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
-
nfdi4chem-mol9659 (Unknown Molecule) Molecule
InChIKey LRBBBGJCZNNDMR-LMVFSPIVSA-N
Related Dataset(s)
-
nfdi4chem-mol9767 (Unknown Molecule) Molecule
InChIKey MQAVYZZZMYYYDB-STMXXAKNSA-N
Related Dataset(s)
-
nfdi4chem-mol9895 (Unknown Molecule) Molecule
InChIKey MLWIYODOURBGPI-UHFFFAOYSA-N Molecular Formula C16H12O5
Related Dataset(s)
-
nfdi4chem-mol9905 (Unknown Molecule) Molecule
InChIKey YCLZNXAGIVAUIV-WXPCYJLHSA-N
Related Dataset(s)
-
nfdi4chem-mol9915 (Unknown Molecule) Molecule
InChIKey ZBQKIVAOPCCKBW-CUOJTQAWSA-N
Related Dataset(s)
-
pent-1-yne Molecule
InChIKey IBXNCJKFFQIKKY-UHFFFAOYSA-N Molecular Formula C5H8
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
-
prop-2-yn-1-amine Molecule
InChIKey JKANAVGODYYCQF-UHFFFAOYSA-N Molecular Formula C3H5N
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
-
propan-2-yl 4-(1-hydroxyethyl)benzoate Molecule
InChIKey XLJDPAYYVIVVLW-UHFFFAOYSA-N Molecular Formula C12H16O3
Related Dataset(s)
- 4-(1-Hydroxyethyl)benzoic acid isopropylester[101]
- 4-(1-Hydroxyethyl)benzoic acid isopropylester[2]
- 4-(1-Hydroxyethyl)benzoic acid isopropylester.1d
- 4-(1-Hydroxyethyl)benzoic acid isopropylester[13]
- 4-(1-Hydroxyethyl)benzoic acid isopropylester[6]
- 4-(1-Hydroxyethyl)benzoic acid isopropylester[100]
- 4-(1-Hydroxyethyl)benzoic acid isopropylester.1d
- 4-(1-Hydroxyethyl)benzoic acid isopropylester[11]
- 4-(1-Hydroxyethyl)benzoic acid isopropylester[12]
- 4-(1-Hydroxyethyl)benzoic acid isopropylester[3]
- 4-(1-Hydroxyethyl)benzoic acid isopropylester[8]
- 4-(1-Hydroxyethyl)benzoic acid isopropylester[5]
- 4-(1-Hydroxyethyl)benzoic acid isopropylester[4]
-
pyridin-1-ium;chloride Molecule
InChIKey AOJFQRQNPXYVLM-UHFFFAOYSA-N Molecular Formula C5H6ClN
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
-
pyridin-2-ylmethanol Molecule
InChIKey SHNUBALDGXWUJI-UHFFFAOYSA-N Molecular Formula C6H7NO
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
-
pyridine-3-carboxylic acid Molecule
InChIKey PVNIIMVLHYAWGP-UHFFFAOYSA-N Molecular Formula C6H5NO2
Related Dataset(s)
- Nicotinic acid, 59-67-6[3]
- Nicotinic acid; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Nicotinic acid; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Nicotinic acid; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Nicotinic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- Nicotinic acid; GC-EI-TOF; MS; 1 TMS; BP:78
- Niacin; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Nicotinic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- Niacin; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Nicotinic Acid, 3-Picolinic acid, Pellagra preventive factor, Nicotinate, Niacin, Pyridine-3-carbonic acid, Vitamin B3; LC-ESI-QQ; MS2
- Niacin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Nicotinic acid; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Nicotinic acid; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
- Nicotinic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Nicotinic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- Nicotinic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Nicotinic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Nicotinic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Nicotinic acid, 59-67-6[2]
- Nicotinic Acid, 3-Picolinic acid, Pellagra preventive factor, Nicotinate, Niacin, Pyridine-3-carbonic acid, Vitamin B3; LC-ESI-QQ; MS2
- Nicotinic acid; GC-EI-TOF; MS; 1 TMS; BP:136
- Nicotinic acid, 59-67-6[6]
- Niacin; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Nicotinic acid, 59-67-6[1]
- Nicotinic acid; GC-EI-TOF; MS; n TMS; RT:443.793 sec
- Nicotinic Acid, 3-Picolinic acid, Pellagra preventive factor, Nicotinate, Niacin, Pyridine-3-carbonic acid, Vitamin B3, pyridine-3-carboxylic acid; LC-ESI-QTOF; MS2
- Nicotinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Nicotinic Acid, 3-Picolinic acid, Pellagra preventive factor, Nicotinate, Niacin, Pyridine-3-carbonic acid, Vitamin B3; LC-ESI-QQ; MS2
- NICOTINIC ACID; EI-B; MS
- Nicotinic acid, 59-67-6[5]
- Niacin; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Nicotinic acid; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Nicotinic acid, 59-67-6[4]
- Nicotinic Acid, 3-Picolinic acid, Pellagra preventive factor, Nicotinate, Niacin, Pyridine-3-carbonic acid, Vitamin B3, pyridine-3-carboxylic acid; LC-ESI-QTOF; MS2
- Nicotinic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Nicotinic acid; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Nicotinic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Nicotinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Nicotinic acid; GC-EI-TOF; MS; 1 TMS; BP:136
- Nicotinic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
