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23,345 molecules found

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• nfdi4chem-mol48696(Unknown Molecule) Molecule

  InChIKey	IVPVQEZYLVFIGH-FLPISHNPSA-N
  Molecular Formula	C47H85O13P

  

  
  

  Related Dataset(s)

  • Phosphatidylinositol 18:0-20:3; LC-ESI-ITFT; MS2; [M-H]-; RT: 23.47; Exp: 3
  • Phosphatidylinositol 18:0-20:3; LC-ESI-ITFT; MS2; [M-H]-; RT: 23.31; Exp: 3
  • Phosphatidylinositol 18:0-20:3; LC-ESI-ITFT; MS2; [M-H]-; RT: 23.31; Exp: 2
  • Phosphatidylinositol 18:0-20:3; LC-ESI-ITFT; MS2; [M-H]-; RT: 23.47; Exp: 2
  • Phosphatidylinositol 18:0-20:3; LC-ESI-ITFT; MS2; [M-H]-; RT: 23.47; Exp: 1
  • Phosphatidylinositol 18:0-20:3; LC-ESI-ITFT; MS2; [M-H]-; RT: 23.31; Exp: 1

• nfdi4chem-mol48738(Unknown Molecule) Molecule

  InChIKey	QPFYXYFORQJZEC-FOCLMDBBSA-N
  Molecular Formula	C11H11N5

  

  
  

  Related Dataset(s)

  • Phenazopyridine; LC-ESI-IT; MS3; m/z: 214/122; [M+H]+
  • Phenazopyridine; LC-ESI-IT; MS3; m/z: 214/141; [M+H]+
  • Phenazopyridine; LC-ESI-IT; MS2; m/z: 214; [M+H]+
  • Phenazopyridine; LC-ESI-IT; MS3; m/z: 214/77; [M+H]+
  • Phenazopyridine; LC-ESI-IT; MS3; m/z: 214/95; [M+H]+
  • Phenazopyridine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
  • Phenazopyridine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
  • Phenazopyridine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
  • Phenazopyridine; LC-ESI-IT; MS3; m/z: 214/108; [M+H]+
  • Phenazopyridine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
  • Phenazopyridine; LC-ESI-IT; MS3; m/z: 214/197; [M+H]+
  • Phenazopyridine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
  • Phenazopyridine; LC-ESI-IT; MS3; m/z: 214/158; [M+H]+

• nfdi4chem-mol4882 (Unknown Molecule) Molecule

  InChIKey	NVFROWUNUWGJRS-CCEZHUSRSA-N
  Molecular Formula	C12H18ClN3

  

  
  

  Related Dataset(s)

  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • electron ionisation mass spectrometry (EI-MS)
  • infrared absorption spectroscopy (IR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • thin-layer chromatography (TLC)

• nfdi4chem-mol4883 (Unknown Molecule) Molecule

  InChIKey	CGPVIBFVRDYHKA-PMERELPUSA-N

  

  
  

  Related Dataset(s)

  • Propyl Pict Pingler[8]
  • propyl PS data[5]
  • propyl PS data[3]
  • Propyl Pict Pingler[3]
  • Propyl Pict Pingler[5]
  • Propyl Pict Pingler[7]
  • Propyl Pict Pingler[9]
  • propyl PS data[2]
  • Propyl Pict Pingler[1]
  • Propyl Pict Pingler[2]
  • propyl PS data[7]
  • Propyl Pict Pingler[4]
  • Propyl Pict Pingler[6]
  • propyl PS data[1]
  • propyl PS data[4]
  • propyl PS data[6]

• nfdi4chem-mol4893 (Unknown Molecule) Molecule

  InChIKey	DGEGPRNCVYDYBD-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 4d[4d-H.jdx]
  • 4d[4d-C.jdx]

• nfdi4chem-mol4906 (Unknown Molecule) Molecule

  InChIKey	UZUDLRROXKVFJB-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • YAC_5A (Compound 18) 3-hydroxy-2-methoxy-8,9-methylenedioxyptero-carpene[40]
  • YAC_5A (Compound 18) 3-hydroxy-2-methoxy-8,9-methylenedioxyptero-carpene[20]
  • YAC_5A (Compound 18) 3-hydroxy-2-methoxy-8,9-methylenedioxyptero-carpene[30]
  • YAC_5A (Compound 18) 3-hydroxy-2-methoxy-8,9-methylenedioxyptero-carpene[99999]
  • YAC_5A (Compound 18) 3-hydroxy-2-methoxy-8,9-methylenedioxyptero-carpene[50]
  • YAC_5A (Compound 18) 3-hydroxy-2-methoxy-8,9-methylenedioxyptero-carpene[11]
  • YAC_5A (Compound 18) 3-hydroxy-2-methoxy-8,9-methylenedioxyptero-carpene[60]

• nfdi4chem-mol4917 (Unknown Molecule) Molecule

  InChIKey	VCVFPFPRVIOCTE-WCWDXBQESA-N
  Molecular Formula	C22H18N2O4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol4918 (Unknown Molecule) Molecule

  InChIKey	SNNDMFLVXFIPGD-CCEZHUSRSA-N
  Molecular Formula	C11H10BrFN2S2

  

  
  

  Related Dataset(s)

  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • infrared absorption spectroscopy (IR)
  • Raman spectroscopy (Raman spectrometry)
  • thin-layer chromatography (TLC)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • ultraviolet-visible spectrophotometry (UV-VIS)
  • electron ionisation mass spectrometry (EI-MS)

• nfdi4chem-mol4934 (Unknown Molecule) Molecule

  InChIKey	VHIPBYKFBTVLCK-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • hexyl amine[2]
  • Hexyl amine pure[1]
  • hexyl amine[3]
  • hexyl amine[1]

• nfdi4chem-mol4947 (Unknown Molecule) Molecule

  InChIKey	MZKVZKDVJWCKKC-PHFPKPIQSA-N
  Molecular Formula	C16H22OPt

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol4955 (Unknown Molecule) Molecule

  InChIKey	WKWUWGUETRQTHS-UHFFFAOYSA-N
  Molecular Formula	C24H23N

  

  
  

  Related Dataset(s)

  • heteronuclear single quantum coherence (HSQC)
  • fast-atom bombardment mass spectrometry (FABMS)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)

• nfdi4chem-mol4958 (Unknown Molecule) Molecule

  InChIKey	YRDAIKQNFVTWDB-ISLYRVAYSA-N
  Molecular Formula	C16H27N3

  

  
  

  Related Dataset(s)

  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • electron ionisation mass spectrometry (EI-MS)
  • infrared absorption spectroscopy (IR)
  • thin-layer chromatography (TLC)

• nfdi4chem-mol4960 (Unknown Molecule) Molecule

  InChIKey	BMUIWAPKNCQCFO-CCEZHUSRSA-N
  Molecular Formula	C12H18BrN3

  

  
  

  Related Dataset(s)

  • electron ionisation mass spectrometry (EI-MS)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • infrared absorption spectroscopy (IR)
  • thin-layer chromatography (TLC)

• nfdi4chem-mol50231(Unknown Molecule) Molecule

  InChIKey	GIJXKZJWITVLHI-ACDBMABISA-N
  Molecular Formula	C21H25NO

  

  
  

  Related Dataset(s)

  • BENZTROPINE; EI-B; MS

• nfdi4chem-mol5031 (Unknown Molecule) Molecule

  InChIKey	OSSDKDCBOYMDHQ-VEGFVYEWSA-L
  Molecular Formula	C82H54Cu2N8O4

  

  
  

  Related Dataset(s)

  • mass spectrometry (MS)
  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol5032 (Unknown Molecule) Molecule

  InChIKey	GUVBZGBNNQJRGH-QZQOTICOSA-N
  Molecular Formula	C16H22F3N3O2

  

  
  

  Related Dataset(s)

  • thin-layer chromatography (TLC)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • infrared absorption spectroscopy (IR)
  • electron ionisation mass spectrometry (EI-MS)

• nfdi4chem-mol5042 (Unknown Molecule) Molecule

  InChIKey	FBRIJCOFDMDXDB-UHFFFAOYSA-N
  Molecular Formula	C15H27N3O3

  

  
  

  Related Dataset(s)

  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
  • high-resolution mass spectrometry (HRMS)
  • assay (measurement method)

• nfdi4chem-mol5077 (Unknown Molecule) Molecule

  InChIKey	PYNSCBTWORIUPC-OCOZRVBESA-N
  Molecular Formula	C23H20N2O5

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5086 (Unknown Molecule) Molecule

  InChIKey	QUSAOKKQNBMHAA-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • TBDPS ACID[2]
  • TBDPS ACID[1]

• nfdi4chem-mol5089 (Unknown Molecule) Molecule

  InChIKey	DIUFWVQNXZDGBK-NADVQYBBSA-N

  

  
  

  Related Dataset(s)

  • 7glyosyloxazolomycinD[13]
  • 7glyosyloxazolomycinD[14]
  • 7glyosyloxazolomycinD[12]
  • 7glyosyloxazolomycinD[15]
  • 7glyosyloxazolomycinD[11]
  • 7glyosyloxazolomycinD[10]

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