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23,294 molecules found

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• nfdi4chem-mol2344 (Unknown Molecule) Molecule

  InChIKey	VWBFRYKCKPESHB-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • Caledonixanthone P[Caledonixanthone P_Proton-2-1.jdf]
  • Caledonixanthone P[Caledonixanthone P_HMQC-1-1.jdf]
  • Caledonixanthone P.2d
  • Caledonixanthone P[Caledonixanthone P_Carbon-1-1.jdf]

• nfdi4chem-mol2345 (Unknown Molecule) Molecule

  InChIKey	IXNGYVJZOWPTAB-UHFFFAOYSA-N
  Molecular Formula	C50H70Br4N2S5Si2

  

  
  

  Related Dataset(s)

  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • distortionless enhancement with polarization transfer (DEPT)
  • 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • distortionless enhancement with polarization transfer (DEPT)
  • 1H--1H correlation spectroscopy (1H-1H COSY)
  • 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

• nfdi4chem-mol2347 (Unknown Molecule) Molecule

  InChIKey	GESZMTVZGWZBPW-QVDYUEJISA-N

  

  
  

  Related Dataset(s)

  • alpha-Onocerin.noesy
  • alpha-Onocerin.apt
  • alpha-Onocerin.hmbc
  • alpha-Onocerin.hsqc
  • alpha-Onocerin.cosy

• nfdi4chem-mol23563(Unknown Molecule) Molecule

  InChIKey	JLYXXMFPNIAWKQ-CDRYSYESSA-N
  Molecular Formula	C6H6Cl6

  

  
  

  Related Dataset(s)

  • beta-BHC; GC-EI-Q; MS; Positive
  • BETA-1,2,3,4,5,6-HEXACHLOROCYCLOHEXANE; EI-B; MS

• nfdi4chem-mol2367 (Unknown Molecule) Molecule

  InChIKey	AJWRDTYJALCPNP-UHFFFAOYSA-N
  Molecular Formula	C18H25NO3

  

  
  

  Related Dataset(s)

  • 196793-29-0[hmbc.dx]
  • 196793-29-0[13c.dx]
  • 196793-29-0[dept.dx]
  • 196793-29-0[1h.dx]
  • 196793-29-0[noesy.dx]
  • 196793-29-0[cosy.dx]
  • 196793-29-0[hsqc.dx]

• nfdi4chem-mol2374 (Unknown Molecule) Molecule

  InChIKey	IOAQHBXBXAUXJG-JQIJEIRASA-N
  Molecular Formula	C12H20N6

  

  
  

  Related Dataset(s)

  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • fast-atom bombardment mass spectrometry (FABMS)
  • infrared absorption spectroscopy (IR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • distortionless enhancement with polarization transfer (DEPT)
  • distortionless enhancement with polarization transfer (DEPT)

• nfdi4chem-mol2379 (Unknown Molecule) Molecule

  InChIKey	KAOLEMQCYWHOJQ-XCQBOXMOSA-N

  

  
  

  Related Dataset(s)

  • 3a-5a-7a-12a-cholestane-37122627-pentol-26-hydrogen-sulfate-sodium-salt.noesy
  • 3a-5a-7a-12a-cholestane-37122627-pentol-26-hydrogen-sulfate-sodium-salt.1d
  • 3a-5a-7a-12a-cholestane-37122627-pentol-26-hydrogen-sulfate-sodium-salt.hmbc
  • 3a-5a-7a-12a-cholestane-37122627-pentol-26-hydrogen-sulfate-sodium-salt.c13
  • 3a-5a-7a-12a-cholestane-37122627-pentol-26-hydrogen-sulfate-sodium-salt.hsqc
  • 3a-5a-7a-12a-cholestane-37122627-pentol-26-hydrogen-sulfate-sodium-salt.cosy

• nfdi4chem-mol2380 (Unknown Molecule) Molecule

  InChIKey	DCMIXAPLCVYQTQ-CAOOACKPSA-N
  Molecular Formula	C12H9F3N2

  

  
  

  Related Dataset(s)

  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • electron ionisation mass spectrometry (EI-MS)
  • Fourier transform infrared spectroscopy (FTIR)
  • 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
  • 19F nuclear magnetic resonance spectroscopy (19F NMR)

• nfdi4chem-mol2386 (Unknown Molecule) Molecule

  InChIKey	XXARTQKKVBTULQ-VXGBXAGGSA-N
  Molecular Formula	C13H26N4

  

  
  

  Related Dataset(s)

  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • infrared absorption spectroscopy (IR)
  • mass spectrometry (MS)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)

• nfdi4chem-mol2391 (Unknown Molecule) Molecule

  InChIKey	LLHNPPQNZJXJID-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 3c_JCAMP[3c_HEE308.jdx]

• nfdi4chem-mol2409 (Unknown Molecule) Molecule

  InChIKey	PGVKMMQGNCNTHA-FYDDRARISA-N
  Molecular Formula	C54H42N4O4

  

  
  

  Related Dataset(s)

  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • infrared absorption spectroscopy (IR)
  • mass spectrometry (MS)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)

• nfdi4chem-mol2430 (Unknown Molecule) Molecule

  InChIKey	LYCMHIVHRSHMLU-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 11d[11d-H.jdx]
  • 11d[11d-C.jdx]

• nfdi4chem-mol24305(Unknown Molecule) Molecule

  InChIKey	BWOHUQVAJNGKEM-MDZDMXLPSA-N
  Molecular Formula	C8H20N4

  

  
  

  Related Dataset(s)

  • 1,5,5-TRIETHYL-3-METHYL-3,4-DIHYDROFORMAZAN; EI-B; MS

• nfdi4chem-mol2434 (Unknown Molecule) Molecule

  InChIKey	MPDGHEJMBKOTSU-QKGDNMKNSA-N

  

  
  

  Related Dataset(s)

  • Glycyrrhetinic acid:Enoxolone 900_400MHz DMSOd6 NMR data.1d
  • Glycyrrhetinic acid:Enoxolone 900_400MHz DMSOd6 NMR data.
  • Glycyrrhetinic acid:Enoxolone 900_400MHz DMSOd6 NMR data[6_ROESY.jdx]
  • Glycyrrhetinic acid:Enoxolone 900_400MHz DMSOd6 NMR data.cosy
  • Glycyrrhetinic acid:Enoxolone 900_400MHz DMSOd6 NMR data.1d
  • Glycyrrhetinic acid:Enoxolone 900_400MHz DMSOd6 NMR data.1d
  • Glycyrrhetinic acid:Enoxolone 900_400MHz DMSOd6 NMR data.1d
  • Glycyrrhetinic acid:Enoxolone 900_400MHz DMSOd6 NMR data[5_HMBC.jdx]
  • Glycyrrhetinic acid:Enoxolone 900_400MHz DMSOd6 NMR data[GlycyrrhetinicAcid_13CNMR_DMSOD6_skim592_042519.jdf]
  • Glycyrrhetinic acid:Enoxolone 900_400MHz DMSOd6 NMR data[4_HSQC.jdx]
  • Glycyrrhetinic acid:Enoxolone 900_400MHz DMSOd6 NMR data[1_1H.jdx]
  • Glycyrrhetinic acid:Enoxolone 900_400MHz DMSOd6 NMR data[3_13C_DeptQ135.jdx]
  • Glycyrrhetinic acid:Enoxolone 900_400MHz DMSOd6 NMR data.hmbc

• nfdi4chem-mol24640(Unknown Molecule) Molecule

  InChIKey	RWIFCBRKLSVYBB-VTZPPSHPSA-N
  Molecular Formula	C37H48O6

  

  
  

  Related Dataset(s)

  • Peridininol furanoxide; FAB-EBEB; MS2; m/z: 588.35; [M]+*

• nfdi4chem-mol2466 (Unknown Molecule) Molecule

  InChIKey	XZXXZNJYVMOGQN-BPQIPLTHSA-N
  Molecular Formula	C20H26O3S2

  

  
  

  Related Dataset(s)

  • attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • mass spectrometry (MS)

• nfdi4chem-mol2467 (Unknown Molecule) Molecule

  InChIKey	RGLFMADTEZTXHV-OCSSWDANSA-N

  

  
  

  Related Dataset(s)

  • 3_SODXXI_003_C19_IMINE_FULL_07_17_2021-CP3[3]
  • 3_SODXXI_003_C19_IMINE_FULL_07_17_2021-CP3[4]
  • 3_SODXXI_003_C19_IMINE_FULL_07_17_2021-CP3[1]
  • 3_SODXXI_003_C19_IMINE_FULL_07_17_2021-CP3[7]
  • 3_SODXXI_003_C19_IMINE_FULL_07_17_2021-CP3[5]
  • 3_SODXXI_003_C19_IMINE_FULL_07_17_2021-CP3[2]
  • 3_SODXXI_003_C19_IMINE_FULL_07_17_2021-CP3[6]

• nfdi4chem-mol2470 (Unknown Molecule) Molecule

  InChIKey	AFYWJZVKEAQQHO-WUKNDPDISA-N
  Molecular Formula	C12H14N5

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)
  • infrared absorption spectroscopy (IR)
  • nuclear magnetic resonance spectroscopy (NMR)
  • nuclear magnetic resonance spectroscopy (NMR)

• nfdi4chem-mol2480 (Unknown Molecule) Molecule

  InChIKey	QAIGOMVCANCBCB-QPJJXVBHSA-N
  Molecular Formula	C21H20O4

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol2484 (Unknown Molecule) Molecule

  InChIKey	NPLQJBCPOSNZEZ-DNJOOXRZSA-N
  Molecular Formula	C36H39N3

  

  
  

  Related Dataset(s)

  • heteronuclear single quantum coherence (HSQC)
  • distortionless enhancement with polarization transfer (DEPT)
  • distortionless enhancement with polarization transfer (DEPT)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • infrared absorption spectroscopy (IR)
  • correlation spectroscopy (COSY)
  • mass spectrometry (MS)
  • heteronuclear multiple bond coherence (HMBC)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)

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