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23,294 molecules found

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• nfdi4chem-mol3112 (Unknown Molecule) Molecule

  InChIKey	YBXSRUSOAMLUNL-ZMVQRVHOSA-N
  Molecular Formula	C52H46N4O8

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3118 (Unknown Molecule) Molecule

  InChIKey	ONZNTVWSXSVUHQ-WIYWIPGRSA-N
  Molecular Formula	C38H26N4

  

  
  

  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-mol3127 (Unknown Molecule) Molecule

  InChIKey	KSCHWMPABPZXSS-WAZFGYTESA-N
  Molecular Formula	C82H58N8O4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3141 (Unknown Molecule) Molecule

  InChIKey	SUCUOAOOOZRUGX-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 19[7]
  • 19[9]
  • 19[6]
  • 19[4]
  • 19[5]
  • 19[3]
  • 19[1]
  • 19[2]

• nfdi4chem-mol3144 (Unknown Molecule) Molecule

  InChIKey	GJXVXQKLCLKLLN-NVZKTODFSA-N
  Molecular Formula	C45H34N4O5

  

  
  

  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-mol3146 (Unknown Molecule) Molecule

  InChIKey	FZUUXBMFWLBSAE-XTQSDGFTSA-N
  Molecular Formula	C19H24N6O2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3163 (Unknown Molecule) Molecule

  InChIKey	OXHMIGISBZHQQX-SDXDJHTJSA-N

  

  
  

  Related Dataset(s)

  • jic-190509-190407_oa[3]
  • jic-190509-190407_oa[2]
  • jic-190509-190407_oa[1]

• nfdi4chem-mol3167 (Unknown Molecule) Molecule

  InChIKey	UKUHMGSUZARNBL-UHFFFAOYSA-N
  Molecular Formula	C24H20O

  

  
  

  Related Dataset(s)

  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • high-resolution electrospray ionisation mass spectrometry (HRESIMS)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

• nfdi4chem-mol31681(Unknown Molecule) Molecule

  InChIKey	QJPDJZAAVMEHCI-DDNAAWFUSA-N
  Molecular Formula	C19H32O

  

  
  

  Related Dataset(s)

  • (4E,8E,13E)-1-(2-HYDROXYETHYL)-1,5,9-TRIMETHYLCYCLOTETRADECATRIENE; EI-B; MS

• nfdi4chem-mol3184 (Unknown Molecule) Molecule

  InChIKey	TWYJREDWCZHZJJ-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 34d[34d-C.jdx]
  • 34d[34d-H.jdx]

• nfdi4chem-mol3185 (Unknown Molecule) Molecule

  InChIKey	GMSYXQOQYOUAHU-FBMGVBCBSA-N
  Molecular Formula	C14H22N6O2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3186 (Unknown Molecule) Molecule

  InChIKey	GKWHEYPZKOERDI-IIBWNCHYSA-N
  Molecular Formula	C54H40N6O4

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol3191 (Unknown Molecule) Molecule

  InChIKey	OKCSJQDCWACJSG-UHFFFAOYSA-N
  Molecular Formula	C16H16O7

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol32179(Unknown Molecule) Molecule

  InChIKey	JIXLTZWMNACINB-HVZNDUSUSA-N
  Molecular Formula	C20H26O4

  

  
  

  Related Dataset(s)

  • (10E,14E)-6,7-EPOXY-6,10,14-TRIMETHYL-3-METHYLENE-3A,6,7,8,9,12,13,15A-OCTAHYDROCYCLOTETRADECA(B)FURAN-2(3H),5(4H)-DIONE; EI-B; MS

• nfdi4chem-mol3222 (Unknown Molecule) Molecule

  InChIKey	OVLFTYYMIOHELO-VXGBXAGGSA-N
  Molecular Formula	C13H28N4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3226 (Unknown Molecule) Molecule

  InChIKey	APQLRCLETLLPAN-GHVJWSGMSA-N
  Molecular Formula	C20H13ClN2O4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol32395(Unknown Molecule) Molecule

  InChIKey	BRIVWQJCHBUVLE-UHFFFAOYSA-N
  Molecular Formula	[C28H31N2O3]+

  

  
  

  Related Dataset(s)

  • Rhodamine 6G; ESI-QTOF; MS2; CE: 20; [M+H]+
  • Rhodamine 6G; ESI-QTOF; MS2; CE: 20; [M-H]-
  • Rhodamine 6G; ESI-QTOF; MS2; CE: 40; [M+H]+
  • Rhodamine 6G; ESI-QTOF; MS2; CE: 10; [M-H]-
  • Rhodamine 6G; ESI-QTOF; MS2; CE: 10; [M+H]+

• nfdi4chem-mol3244 (Unknown Molecule) Molecule

  InChIKey	YVVUSIMLVPJXMY-HAQNSBGRSA-N
  Molecular Formula	C12H16O

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3246 (Unknown Molecule) Molecule

  InChIKey	ZBOUYSDUWJGEFC-CAPSNEHASA-N

  

  
  

  Related Dataset(s)

  • 317E-11[CARBON_01.fid]
  • 317E-11[7]
  • 317E-11[PROTON_02.fid]
  • 317E-11[PROTON_01.fid]

• nfdi4chem-mol32463(Unknown Molecule) Molecule

  InChIKey	CYHOMWAPJJPNMW-RNLVFQAGSA-N
  Molecular Formula	C8H15NO

  

  
  

  Related Dataset(s)

  • Tropine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
  • Tropine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
  • Tropine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
  • Tropine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
  • Tropine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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