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23,294 molecules found

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• nfdi4chem-mol17467(Unknown Molecule) Molecule

  InChIKey	DJIHJMQVAWUMQB-GRNFJTJUSA-N
  Molecular Formula	C45H83O13P

  

  
  

  Related Dataset(s)

  • Phosphatidylinositol 18:0-18:2; LC-ESI-ITFT; MS2; [M-H]-; RT: 21.91; Exp: 2
  • Phosphatidylinositol 18:0-18:2; LC-ESI-ITFT; MS2; [M-H]-; RT: 21.91; Exp: 1
  • Phosphatidylinositol 18:0-18:2; LC-ESI-ITFT; MS2; [M-H]-; RT: 21.91; Exp: 3

• nfdi4chem-mol17611(Unknown Molecule) Molecule

  InChIKey	LBMMQTGWTSTFIZ-WJEBLFDXSA-N
  Molecular Formula	C49H87O13P

  

  
  

  Related Dataset(s)

  • Phosphatidylinositol 18:0-22:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 25.24; Exp: 1
  • Phosphatidylinositol 18:0-22:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 25.06; Exp: 1
  • Phosphatidylinositol 18:0-22:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 25.06; Exp: 3
  • Phosphatidylinositol 18:0-22:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 25.06; Exp: 2
  • Phosphatidylinositol 18:0-22:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 25.24; Exp: 2
  • Phosphatidylinositol 18:0-22:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 25.24; Exp: 3

• nfdi4chem-mol17722(Unknown Molecule) Molecule

  InChIKey	RURPJGZXBHYNEM-GDAWTGGTSA-N
  Molecular Formula	C17H18N2O2

  

  
  

  Related Dataset(s)

  • N,N'-Disalicylidene-1,2-diaminopropane; ESI-QTOF; MS2; CE: 10; [M+H]+
  • N,N'-Disalicylidene-1,2-diaminopropane; ESI-QTOF; MS2; CE: 40; [M-H]-
  • N,N'-Disalicylidene-1,2-diaminopropane; ESI-QTOF; MS2; CE: 10; [M-H]-
  • N,N'-Disalicylidene-1,2-diaminopropane; ESI-QTOF; MS2; CE: 40; [M+H]+
  • N,N'-Disalicylidene-1,2-diaminopropane; ESI-QTOF; MS2; CE: 20; [M-H]-
  • N,N'-Disalicylidene-1,2-diaminopropane; ESI-QTOF; MS2; CE: 20; [M+H]+

• nfdi4chem-mol1786 (Unknown Molecule) Molecule

  InChIKey	AIOYFZDBUIGAAQ-OLRUKZAISA-N
  Molecular Formula	C88H54N8Ni2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol1793 (Unknown Molecule) Molecule

  InChIKey	QBJQYWJUXLCMRJ-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 17[3]
  • 17[1]

• nfdi4chem-mol1809 (Unknown Molecule) Molecule

  InChIKey	DBLYDXDFRQUSRQ-QYQCSXRTSA-F
  Molecular Formula	C51H49Cu8N16O16

  

  
  

  Related Dataset(s)

  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)
  • X-ray diffraction (XRD)

• nfdi4chem-mol18248(Unknown Molecule) Molecule

  InChIKey	VWJRZDAXOVPKFT-UHFFFAOYSA-N
  Molecular Formula	C10H30Ge2OSi2

  

  
  

  Related Dataset(s)

  • 1,1,3,3-TETRAMETHYL-1,3-BIS(TRIMETHYLSILYL)DIGERMOXANE; EI-B; MS

• nfdi4chem-mol18416(Unknown Molecule) Molecule

  InChIKey	PRUGWHGQBHEDAX-QXONSOMPSA-N
  Molecular Formula	C23H29N3O2

  

  
  

  Related Dataset(s)

  • CP-401387; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
  • CP-401387; LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
  • CP-401387; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
  • CP-401387; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
  • CP-401387; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
  • CP-401387; LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
  • CP-401387; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
  • CP-401387; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
  • CP-401387; LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
  • CP-401387; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
  • CP-401387; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
  • CP-401387; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-

• nfdi4chem-mol18589(Unknown Molecule) Molecule

  InChIKey	CFJUYISNWQKCKP-FSEHQYEXSA-N
  Molecular Formula	C10H24Sn2

  

  
  

  Related Dataset(s)

  • 1,4-BIS(TRIMETHYLSTANNYL)-2-BUTENYLENE; EI-B; MS

• nfdi4chem-mol1876 (Unknown Molecule) Molecule

  InChIKey	KFLSWDVYGSSZRX-FMIVXFBMSA-N
  Molecular Formula	C11H15N

  

  
  

  Related Dataset(s)

  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • electron ionisation mass spectrometry (EI-MS)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)

• nfdi4chem-mol1889 (Unknown Molecule) Molecule

  InChIKey	CCZTUCNMFPMPRB-UPZJHPNMSA-N

  

  
  

  Related Dataset(s)

  • Ohauamine A CDCl3[5]
  • Ohauamine A CDCl3[7]
  • Ohauamine A CDCl3[8]
  • Ohauamine A CD3OD[5]
  • Ohauamine A CDCl3[6]
  • Ohauamine A CDCl3[4]
  • Ohauamine A CDCl3[9]
  • Ohauamine A CD3OD[2]
  • Ohauamine A CDCl3[1]
  • Ohauamine A CD3OD[1]
  • Ohauamine A CD3OD[3]
  • Ohauamine A CDCl3[3]
  • Ohauamine A CDCl3[2]

• nfdi4chem-mol1892 (Unknown Molecule) Molecule

  InChIKey	MIWCYRZGZZUCSO-UHFFFAOYSA-N
  Molecular Formula	C28H23N3O2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol1897 (Unknown Molecule) Molecule

  InChIKey	LHQKMJBXIUSXKU-JBNFXROSSA-N
  Molecular Formula	C54H38N4O4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol1916 (Unknown Molecule) Molecule

  InChIKey	VRNUXBHODSWHFZ-QZQOTICOSA-N
  Molecular Formula	C18H17ClN2S2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol1940 (Unknown Molecule) Molecule

  InChIKey	GWCCNUVYGKKQRH-VHEBQXMUSA-N

  

  
  

  Related Dataset(s)

  • wil-190912-154030_oa[3]
  • wil-190912-154030_oa[2]
  • wil-190912-154030_oa[1]

• nfdi4chem-mol1946 (Unknown Molecule) Molecule

  InChIKey	UAWJXZOQTBFBII-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 41d[41d-C.jdx]
  • 41d[41d-H.jdx]

• nfdi4chem-mol1954 (Unknown Molecule) Molecule

  InChIKey	XXLMGNOUXDIRRQ-WCWDXBQESA-N
  Molecular Formula	C22H18N2OS2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol1956 (Unknown Molecule) Molecule

  InChIKey	GSRQUTXOHOLLHT-HTXNQAPBSA-N

  

  
  

  Related Dataset(s)

  • 6[6]
  • 6.1d
  • 6[8]
  • 6.1d
  • 6b[3]
  • 6[4]
  • 6[5]
  • 6[7]

• nfdi4chem-mol1961 (Unknown Molecule) Molecule

  InChIKey	NJJJGXDUDISIKH-RQECDEDSSA-N
  Molecular Formula	C56H42N4O6

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol19619(Unknown Molecule) Molecule

  InChIKey	AGGXQDCVTKTEKZ-UKTHLTGXSA-N
  Molecular Formula	C12H11N

  

  
  

  Related Dataset(s)

  • N-(2-NAPHTHYLMETHYLENE)-METHYLAMINE; EI-B; MS

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