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25,361 molecules found

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• nfdi4chem-mol56237(Unknown Molecule) Molecule

  InChIKey	WPVSVIXDXMNGGN-UHFFFAOYSA-N
  Molecular Formula	C26H38O4

  

  
  

  Related Dataset(s)

  • Lupulone; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
  • Lupulone; LC-ESI-QTOF; MS
  • Lupulone; LC-ESI-QTOF; MS
  • Lupulone; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
  • Lupulone; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
  • Lupulone; LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
  • Lupulone; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-

• nfdi4chem-mol5629 (Unknown Molecule) Molecule

  InChIKey	RKCAIXNGYQCCAL-CEVVSZFKSA-N
  Molecular Formula	C20H14N4

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol5669(Unknown Molecule) Molecule

  InChIKey	NVKCRPKKJGPKEK-HEFFKOSUSA-N
  Molecular Formula	C32H38N6O2

  

  
  

  Related Dataset(s)

  • 2,2'-DI(4-HEXYLOXYPHENYL)-5,5'-DIAZODIPYRIMIDINE; EI-B; MS

• nfdi4chem-mol56696(Unknown Molecule) Molecule

  InChIKey	WQMQEJCRDIIRGN-VWFGVUABSA-N
  Molecular Formula	C45H85O13P

  

  
  

  Related Dataset(s)

  • Phosphatidylinositol 18:1-18:0; LC-ESI-ITFT; MS2; [M-H]-; RT: 27.82; Exp: 3
  • Phosphatidylinositol 18:1-18:0; LC-ESI-ITFT; MS2; [M-H]-; RT: 27.82; Exp: 2
  • Phosphatidylinositol 18:1-18:0; LC-ESI-ITFT; MS2; [M-H]-; RT: 27.82; Exp: 1

• nfdi4chem-mol56809(Unknown Molecule) Molecule

  InChIKey	VKONPUDBRVKQLM-OLQVQODUSA-N
  Molecular Formula	C6H12O2

  

  
  

  Related Dataset(s)

  • CIS-1,4-CYCLOHEXANEDIOL; EI-B; MS

• nfdi4chem-mol5686 (Unknown Molecule) Molecule

  InChIKey	YISPZRNMIJKRQD-RULARGBGBA-N
  Molecular Formula	C47H68N10O12

  

  
  

  Related Dataset(s)

  • secondary ion mass spectrometry imaging (SIMS imaging)

• nfdi4chem-mol5693 (Unknown Molecule) Molecule

  InChIKey	QKHPYPUCYCZMQU-WTFXTOSCSA-N
  Molecular Formula	C38H30N4O4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5703 (Unknown Molecule) Molecule

  InChIKey	QZIBHZBMQIZEHR-UMLUTLPMSA-N

  

  
  

  Related Dataset(s)

  • compound 4[4]
  • compound 4[2]
  • compound 4.hmbc
  • compound 4[5]
  • compound 4[1]
  • compound 4[6]

• nfdi4chem-mol57215(Unknown Molecule) Molecule

  InChIKey	CEQFOVLGLXCDCX-WUKNDPDISA-N
  Molecular Formula	C15H15N3O2

  

  
  

  Related Dataset(s)

  • Methyl red; ESI-QTOF; MS2; CE: 40; [M+H]+
  • Methyl red; ESI-QTOF; MS2; CE: 10; [M+H]+
  • Methyl red; ESI-QTOF; MS2; CE: 20; [M+H]+

• nfdi4chem-mol5723 (Unknown Molecule) Molecule

  InChIKey	KGNBWBPVCJEGFH-UHFFFAOYSA-J
  Molecular Formula	C36H32Br4Cu4N2P2

  

  
  

  Related Dataset(s)

  • distortionless enhancement with polarization transfer (DEPT)
  • infrared absorption spectroscopy (IR)
  • 31P nuclear magnetic resonance spectroscopy (31P NMR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • distortionless enhancement with polarization transfer (DEPT)
  • mass spectrometry (MS)

• nfdi4chem-mol5724 (Unknown Molecule) Molecule

  InChIKey	AHRZUOAZTJIYHN-QNGWXLTQSA-N

  

  
  

  Related Dataset(s)

  • Hexyl Ethoxy Ethyl PF[2]

• nfdi4chem-mol5725 (Unknown Molecule) Molecule

  InChIKey	MUPFEKGTMRGPLJ-GEPQCSQVSA-N

  

  
  

  Related Dataset(s)

  • Raffinose.cosy
  • Raffinose.
  • Raffinose.hsqc
  • Raffinose.noesy
  • Raffinose.1d
  • Raffinose.hmbc
  • Raffinose.
  • Raffinose.aptjmod

• nfdi4chem-mol5727 (Unknown Molecule) Molecule

  InChIKey	CTTMEBHCEPDHGE-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • Propyl amine TBS acid Amide data.topspin[2]
  • Propyl amine TBS acid Amide data.topspin[1]

• nfdi4chem-mol57290(Unknown Molecule) Molecule

  InChIKey	BABHWMHGOCZGSO-BQYQJAHWSA-N
  Molecular Formula	C6H16N4

  

  
  

  Related Dataset(s)

  • 1-ETHYL-3,5,5-TRIMETHYL-3,4-DIHYDROFORMAZAN; EI-B; MS

• nfdi4chem-mol5741 (Unknown Molecule) Molecule

  InChIKey	HSPWINPGAQGAKL-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 9-10b[1]
  • 9-10b[2]

• nfdi4chem-mol5758 (Unknown Molecule) Molecule

  InChIKey	PHDJBFHCWVQMCQ-UHFFFAOYSA-N
  Molecular Formula	C11H8ClO2

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)
  • Raman spectroscopy (Raman spectrometry)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)

• nfdi4chem-mol5769 (Unknown Molecule) Molecule

  InChIKey	PVNJZYMWNGXTBA-WCWDXBQESA-N
  Molecular Formula	C21H17BrN2S2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5796 (Unknown Molecule) Molecule

  InChIKey	QWMDZBNTAOVPTN-UHFFFAOYSA-N
  Molecular Formula	C42H56Cu2N10O2

  

  
  

  Related Dataset(s)

  • high-resolution electrospray ionisation mass spectrometry (HRESIMS)
  • single crystal X-ray diffraction (single-crystal X-ray diffraction)

• nfdi4chem-mol5802 (Unknown Molecule) Molecule

  InChIKey	WCGPPSXZUDWZOY-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 22.dept
  • 22[2]
  • 22.dept
  • 22[1]
  • 22.cosy
  • 22[7]
  • 22[6]

• nfdi4chem-mol5806 (Unknown Molecule) Molecule

  InChIKey	ZSXCLZVFWCYRAZ-FMQUCBEESA-N
  Molecular Formula	C18H18N2OS2

  

  
  

  Related Dataset(s)

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

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