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23,335 molecules found

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• nfdi4chem-mol4357 (Unknown Molecule) Molecule

  InChIKey	HMHDOELLJHPFFV-XIFFEERXSA-N

  

  
  

  Related Dataset(s)

  • Hexyl PS[3]
  • Hexyl PS[10]
  • Hexyl PS[12]
  • Hexyl PS[7]
  • Hexyl PS[8]
  • Hexyl PS[6]
  • Hexyl PS[11]
  • Hexyl PS[14]
  • Hexyl PS[4]
  • Hexyl PS[9]
  • Hexyl PS[16]
  • Hexyl PS[15]
  • Hexyl PS[13]
  • Hexyl PS[2]
  • Hexyl PS[1]
  • Hexyl PS[5]

• nfdi4chem-mol4366 (Unknown Molecule) Molecule

  InChIKey	DUEXJIZWUJECGU-LYAGHACYSA-N
  Molecular Formula	C54H40F2N4O4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol4377 (Unknown Molecule) Molecule

  InChIKey	GVLZVCNCEJCKME-DINQAQKLSA-K
  Molecular Formula	C17H21Cl3FeN5

  

  
  

  Related Dataset(s)

  • high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
  • powder X-ray diffraction (PXD)
  • single crystal X-ray diffraction (single-crystal X-ray diffraction)
  • attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
  • elemental analysis (EA)

• nfdi4chem-mol4387 (Unknown Molecule) Molecule

  InChIKey	NCJKXVAMVRAYAK-UHFFFAOYSA-N
  Molecular Formula	C58H78N6O11

  

  
  

  Related Dataset(s)

  • high-resolution mass spectrometry (HRMS)
  • planned process
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)

• nfdi4chem-mol4394 (Unknown Molecule) Molecule

  InChIKey	NRDQBPJLNQDPCN-BOPYEVHASA-N
  Molecular Formula	C50H30Br8N4O4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol4417 (Unknown Molecule) Molecule

  InChIKey	CCIAYANZDWKSEV-OLRUKZAISA-N
  Molecular Formula	C88H54N8Zn2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol4433 (Unknown Molecule) Molecule

  InChIKey	SKADOJKIWVTADK-UHFFFAOYSA-N
  Molecular Formula	C18H14Cl2O

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol4435 (Unknown Molecule) Molecule

  InChIKey	CRHQCXFMPCYLGU-RGNLWQAKSA-N
  Molecular Formula	C52H42N4O6

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol4438 (Unknown Molecule) Molecule

  InChIKey	CDCSFNJURXBBKC-QURGRASLSA-N
  Molecular Formula	C14H17F6N3

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol44458(Unknown Molecule) Molecule

  InChIKey	HJZVPFAZKUHWMN-ZRQCKBQHSA-N
  Molecular Formula	C47H79O12P

  

  
  

  Related Dataset(s)

  • Phosphatidylinositol alkyl 16:1-22:6; LC-ESI-ITFT; MS2; [M-H]-; RT: 5.36; Exp: 1
  • Phosphatidylinositol alkyl 16:1-22:6; LC-ESI-ITFT; MS2; [M-H]-; RT: 5.36; Exp: 3
  • Phosphatidylinositol alkyl 16:1-22:6; LC-ESI-ITFT; MS2; [M-H]-; RT: 5.36; Exp: 2

• nfdi4chem-mol4446 (Unknown Molecule) Molecule

  InChIKey	FDPAOFABTKSKOB-LVYLMHPTSA-N
  Molecular Formula	C52H36N6O4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol4458 (Unknown Molecule) Molecule

  InChIKey	UXWRDWRPWLLRBK-JWEKRMLRSA-N
  Molecular Formula	C56H62N10O8

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol4463 (Unknown Molecule) Molecule

  InChIKey	FCRXEDDTFRNVBW-UHFFFAOYSA-N
  Molecular Formula	C62H44N4O2

  

  
  

  Related Dataset(s)

  • mass spectrometry (MS)
  • 1H--1H correlation spectroscopy (1H-1H COSY)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • ultraviolet-visible spectrophotometry (UV-VIS)
  • 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
  • Fourier transform infrared spectroscopy (FTIR)
  • 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

• nfdi4chem-mol4466 (Unknown Molecule) Molecule

  InChIKey	JBSNCIVXJFJUSU-ISLYRVAYSA-N
  Molecular Formula	C15H17ClN2O2S2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol4467(Unknown Molecule) Molecule

  InChIKey	CIEYTVIYYGTCCI-UHFFFAOYSA-N
  Molecular Formula	C15H14O3

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol4475 (Unknown Molecule) Molecule

  InChIKey	QWZVUKSWHOPBIP-GHVJWSGMSA-N
  Molecular Formula	C20H20N4

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol4482 (Unknown Molecule) Molecule

  InChIKey	ITWUUQFTKOWATK-GHVJWSGMSA-N
  Molecular Formula	C20H13IN2O4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol4484 (Unknown Molecule) Molecule

  InChIKey	RFHSRTPLKAZEEX-QZQOTICOSA-N
  Molecular Formula	C19H18N2O3S2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol4492 (Unknown Molecule) Molecule

  InChIKey	IDMXNLFAMNRZKC-CCEZHUSRSA-N
  Molecular Formula	C13H21N3O

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol4493 (Unknown Molecule) Molecule

  InChIKey	TUCAXGNMUKBIKE-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 13a_JCAMP[13a_HEE300.jdx]

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