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23,309 molecules found

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• nfdi4chem-mol1519 (Unknown Molecule) Molecule

  InChIKey	ILUYOFIQUXMBTI-GHVJWSGMSA-N
  Molecular Formula	C21H16N2O5

  

  
  

  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-mol1521 (Unknown Molecule) Molecule

  InChIKey	XPDUYBGKBVEIJS-CCEZHUSRSA-N
  Molecular Formula	C13H20N4O2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol1542 (Unknown Molecule) Molecule

  InChIKey	HAWOLRYNIANOLV-ORIBYTGSSA-N

  

  
  

  Related Dataset(s)

  • olindenone E (5)[1H]
  • olindenone E (5)[NOESY]

• nfdi4chem-mol15514(Unknown Molecule) Molecule

  InChIKey	ATTCVKKCGVZURR-BUHFOSPRSA-N
  Molecular Formula	C9H5ClN4

  

  
  

  Related Dataset(s)

  • Carbonyl cyanide chlorophenylhydrazone; ESI-QTOF; MS2; CE: 20; [M-H]-
  • Carbonyl cyanide chlorophenylhydrazone; ESI-QTOF; MS2; CE: 40; [M-H]-
  • Carbonyl cyanide chlorophenylhydrazone; ESI-QTOF; MS2; CE: 10; [M-H]-

• nfdi4chem-mol1554 (Unknown Molecule) Molecule

  InChIKey	JBNURUVCYBVKFJ-CCEZHUSRSA-N
  Molecular Formula	C12H18FN3

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol1559 (Unknown Molecule) Molecule

  InChIKey	PNJCQSRZVFLATK-RORYYHOOSA-M
  Molecular Formula	C45H28N4NiO

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol1576 (Unknown Molecule) Molecule

  InChIKey	NCZWEFQTMQHSJW-BUHFOSPRSA-N
  Molecular Formula	C11H11IN2S2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol1579 (Unknown Molecule) Molecule

  InChIKey	PWGPWUUEZAFACI-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 20[4]
  • 21[7]
  • 21[1]
  • 20[3]
  • 20[8]
  • 20[7]
  • 21[2]
  • 20[2]
  • 21[3]
  • 20[5]
  • 21[5]
  • 21[4]
  • 21[6]
  • 20[1]

• nfdi4chem-mol1591 (Unknown Molecule) Molecule

  InChIKey	JMXNYWPBXRDJJU-UHFFFAOYSA-N
  Molecular Formula	C18H25BF2N2S

  

  
  

  Related Dataset(s)

  • ultraviolet-visible spectrophotometry (UV-VIS)
  • fluorescence detection (fluorescence (FL) detection)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • mass spectrometry (MS)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)

• nfdi4chem-mol1592 (Unknown Molecule) Molecule

  InChIKey	OAZHVBZWLPRHCF-FOCLMDBBSA-N
  Molecular Formula	C13H15ClN2S2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol1599 (Unknown Molecule) Molecule

  InChIKey	LRHQVSJDOPYCOR-UHFFFAOYSA-M
  Molecular Formula	C47H45ClN3PPd

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol1607 (Unknown Molecule) Molecule

  InChIKey	UTSSSVWAYAQTOV-NTEUORMPSA-N
  Molecular Formula	C12H12N2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol16143(Unknown Molecule) Molecule

  InChIKey	CLSVJBIHYWPGQY-GGYDESQDSA-N
  Molecular Formula	C21H27NO5

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol1618 (Unknown Molecule) Molecule

  InChIKey	FMUKFODCTRTDKV-QTXNFXEQSA-N

  

  
  

  Related Dataset(s)

  • Hydroxysafflor yellow A[4]
  • Hydroxysafflor yellow A[5]
  • Hydroxysafflor yellow A[3]
  • Hydroxysafflor yellow A[1]
  • Hydroxysafflor yellow A[6]
  • Hydroxysafflor yellow A[2]

• nfdi4chem-mol1620 (Unknown Molecule) Molecule

  InChIKey	IPBROAUZYSQGDN-JHSDGAPCSA-N
  Molecular Formula	C20H6F8N8

  

  
  

  Related Dataset(s)

  • 19F nuclear magnetic resonance spectroscopy (19F NMR)
  • infrared absorption spectroscopy (IR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • high-resolution mass spectrometry (HRMS)
  • electron ionisation mass spectrometry (EI-MS)

• nfdi4chem-mol16286(Unknown Molecule) Molecule

  InChIKey	LNHURPJLTHSVMU-SFECMWDFSA-N
  Molecular Formula	C6H6N2O2

  

  
  

  Related Dataset(s)

  • P-BENZOQUINONE DIOXIME; EI-B; MS

• nfdi4chem-mol1639 (Unknown Molecule) Molecule

  InChIKey	FEHNUWIZIPJQLZ-CZIZESTLSA-N
  Molecular Formula	C17H25N5

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol1640 (Unknown Molecule) Molecule

  InChIKey	YBHHZZZVXQUMBB-WCWDXBQESA-N
  Molecular Formula	C20H25FN4O

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol16568(Unknown Molecule) Molecule

  InChIKey	OVHGUPNHWUHPOM-DBFVMBBUSA-N
  Molecular Formula	C27H51O12P

  

  
  

  Related Dataset(s)

  • Phosphatidylinositol lyso 18:1; LC-ESI-ITFT; MS2; [M-H]-; RT: 2.10; Exp: 2
  • Phosphatidylinositol lyso 18:1; LC-ESI-ITFT; MS2; [M-H]-; RT: 2.13; Exp: 1
  • Phosphatidylinositol lyso 18:1; LC-ESI-ITFT; MS2; [M-H]-; RT: 2.10; Exp: 1

• nfdi4chem-mol1660 (Unknown Molecule) Molecule

  InChIKey	JSHPVLDCNNBYHL-NCZKRNLISA-N

  

  
  

  Related Dataset(s)

  • kasichelinA[11]
  • kasichelinA[12]
  • kasichelinA[10]
  • kasichelinA[14]
  • kasichelinA[13]

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