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23,335 molecules found

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• nfdi4chem-mol3412 (Unknown Molecule) Molecule

  InChIKey	BYPDVTHQGXSDOF-BXGDTPBJSA-M
  Molecular Formula	C28H26IN3

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • mass spectrometry (MS)
  • 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)

• nfdi4chem-mol3441 (Unknown Molecule) Molecule

  InChIKey	ISJFYXNDUPZGQM-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • Compound_4_YAC_4D[16]
  • Compound_4_YAC_4D[11]
  • Compound_4_YAC_4D[13]
  • Compound_4_YAC_4D[17]
  • Compound_4_YAC_4D[15]
  • Compound_4_YAC_4D[12]

• nfdi4chem-mol3446 (Unknown Molecule) Molecule

  InChIKey	BYIZMXXEFLVSTQ-OGVWNADFSA-N

  

  
  

  Related Dataset(s)

  • AEIV-022B_C1_C17_diol_C3_OTBDMS_08.19.2024_FULL[9]
  • AEIV-022B_C1_C17_diol_C3_OTBDMS_08.19.2024_FULL[7]
  • AEIV-022B_C1_C17_diol_C3_OTBDMS_08.19.2024_FULL[1]
  • AEIV-022B_C1_C17_diol_C3_OTBDMS_08.19.2024_FULL[3]
  • AEIV-022B_C1_C17_diol_C3_OTBDMS_08.19.2024_FULL[10]
  • AEIV-022B_C1_C17_diol_C3_OTBDMS_08.19.2024_FULL[5]

• nfdi4chem-mol3448 (Unknown Molecule) Molecule

  InChIKey	BLJSSXHQMQCXGZ-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 20d[20d-C.jdx]

• nfdi4chem-mol3450 (Unknown Molecule) Molecule

  InChIKey	HYFUBLRMVAGLLH-GLKPFBITSA-N
  Molecular Formula	C48H41CuN2P2S

  

  
  

  Related Dataset(s)

  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • fast-atom bombardment mass spectrometry (FABMS)
  • elemental analysis (EA)
  • Fourier transform infrared spectroscopy (FTIR)
  • proton-decoupled 31P nuclear magnetic resonance spectroscopy (31P{1H}-NMR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

• nfdi4chem-mol3464 (Unknown Molecule) Molecule

  InChIKey	QKLYTAZPGQSJHF-UHFFFAOYSA-N
  Molecular Formula	C24H25NO2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3473 (Unknown Molecule) Molecule

  InChIKey	GLOZBXDBURTYNA-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • versilulin C[11]
  • versilulin C[10]

• nfdi4chem-mol3480 (Unknown Molecule) Molecule

  InChIKey	PXAZVNUCVWQGQR-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • Compound_5_YAC_4K Rhodacarpin[12]
  • Compound_5_YAC_4K Rhodacarpin[17]
  • Compound_5_YAC_4K Rhodacarpin[11]
  • Compound_5_YAC_4K Rhodacarpin[16]
  • Compound_5_YAC_4K Rhodacarpin[15]
  • Compound_5_YAC_4K Rhodacarpin.cosy

• nfdi4chem-mol3511 (Unknown Molecule) Molecule

  InChIKey	YEXJLGOPBDUHDI-QURGRASLSA-N
  Molecular Formula	C17H26F3N3

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3518 (Unknown Molecule) Molecule

  InChIKey	CDTLTIBXDHDYLG-UHFFFAOYSA-N
  Molecular Formula	C23H31ClN4O6

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3524 (Unknown Molecule) Molecule

  InChIKey	HEXMLLSEKCMAHU-OCEACIFDSA-N
  Molecular Formula	C21H13F3N2O4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3533 (Unknown Molecule) Molecule

  InChIKey	TXCSGOFPWYNWNQ-IRXSFQPESA-N
  Molecular Formula	C34H44Cl3NO15S

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol35343(Unknown Molecule) Molecule

  InChIKey	RAFDCSMAXTUJKJ-XYPYZODXSA-N
  Molecular Formula	C11H20

  

  
  

  Related Dataset(s)

  • 1-METHYLBICYCLO(4.4.0)DECANE(TRANS); EI-B; MS
  • 1-METHYLBICYCLO(4.4.0)DECANE(TRANS); EI-B; MS

• nfdi4chem-mol35356(Unknown Molecule) Molecule

  InChIKey	UZFMOKQJFYMBGY-UHFFFAOYSA-N
  Molecular Formula	C9H18NO2

  

  
  

  Related Dataset(s)

  • 4-Oxypiperidol; LC-ESI-QTOF; MS2; 50 V
  • 4-Oxypiperidol; LC-ESI-QTOF; MS2; 40 V
  • 4-Oxypiperidol; LC-ESI-QTOF; MS2; 40 V
  • 4-Oxypiperidol; LC-ESI-QTOF; MS2; 10 V
  • 4-Oxypiperidol; LC-ESI-QTOF; MS2; 20 V
  • 4-Oxypiperidol; LC-ESI-QTOF; MS2; 30 V

• nfdi4chem-mol35473(Unknown Molecule) Molecule

  InChIKey	RROPNRTUMVVUED-UHFFFAOYSA-N
  Molecular Formula	C10H6O5

  

  
  

  Related Dataset(s)

  • 2,5,7-TRIHYDROXY-1,4-NAPHTHOQUINONE; EI-B; MS

• nfdi4chem-mol3556 (Unknown Molecule) Molecule

  InChIKey	ZXLPWFPKJLSDGY-QVIHXGFCSA-N
  Molecular Formula	C28H22N2O4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3570 (Unknown Molecule) Molecule

  InChIKey	BMHCBBLRQFEKMM-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 11a_JCAMP[11a_HEE294.jdx]
  • 12a_JCAMP[12a_HEE295.jdx]

• nfdi4chem-mol3571 (Unknown Molecule) Molecule

  InChIKey	WATRTLFPLVDPLA-MARXURJUSA-N

  

  
  

  Related Dataset(s)

  • 13_AEIII-066B_C1_C17_diketo_C3_OTBDMS_08.14.2024_FULL[8]
  • 13_AEIII-066B_C1_C17_diketo_C3_OTBDMS_08.14.2024_FULL[7]
  • 13_AEIII-066B_C1_C17_diketo_C3_OTBDMS_08.14.2024_FULL[9]
  • 13_AEIII-066B_C1_C17_diketo_C3_OTBDMS_08.14.2024_FULL[6]

• nfdi4chem-mol35847(Unknown Molecule) Molecule

  InChIKey	BAEWURLBOZSGIA-UHFFFAOYSA-N
  Molecular Formula	C4H5N3O

  

  
  

  Related Dataset(s)

  • 2-AMINOPYRIMIDINE 1-OXIDE; EI-B; MS

• nfdi4chem-mol3592 (Unknown Molecule) Molecule

  InChIKey	JFDJXXRTHCTUME-DHZHZOJOSA-N
  Molecular Formula	C10H12N2O2

  

  
  

  Related Dataset(s)

  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)

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