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23,335 molecules found

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• nfdi4chem-mol1044 (Unknown Molecule) Molecule

  InChIKey	CBNSSMKTUIDBLQ-QURGRASLSA-N
  Molecular Formula	C20H14N2O4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol10506(Unknown Molecule) Molecule

  InChIKey	WSEFNHGCDYIOSY-QIXOVXMPSA-N
  Molecular Formula	C17H27N

  

  
  

  Related Dataset(s)

  • N-(2-ADAMANTYL)-2-METHYLCYCLOHEXANIMINE; EI-B; MS

• nfdi4chem-mol1060 (Unknown Molecule) Molecule

  InChIKey	JUTLYHZQMHMLRZ-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 2b[2b-1H]
  • 2b[2b-13C]

• nfdi4chem-mol10628(Unknown Molecule) Molecule

  InChIKey	GCTCZDZDLCVEBR-BMBRPNNFSA-N
  Molecular Formula	C29H49O12P

  

  
  

  Related Dataset(s)

  • Phosphatidylinositol lyso 20:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 1.67; Exp: 2
  • Phosphatidylinositol lyso 20:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 1.67; Exp: 3
  • Phosphatidylinositol lyso 20:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 1.67; Exp: 1

• nfdi4chem-mol1066 (Unknown Molecule) Molecule

  InChIKey	DILWRHWPCKHIAF-WCWDXBQESA-N
  Molecular Formula	C17H22F5N3O2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol1081 (Unknown Molecule) Molecule

  InChIKey	PWDVDRMYMFXQOH-UHFFFAOYSA-N
  Molecular Formula	C21H22

  

  
  

  Related Dataset(s)

  • electrospray ionisation quadrupole detection (ESI Q Trap)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • distortionless enhancement with polarization transfer (DEPT)
  • infrared absorption spectroscopy (IR)
  • heteronuclear multiple bond coherence (HMBC)
  • heteronuclear single quantum coherence (HSQC)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • distortionless enhancement with polarization transfer (DEPT)
  • correlation spectroscopy (COSY)

• nfdi4chem-mol1097 (Unknown Molecule) Molecule

  InChIKey	QLXNVOCOMUCNFL-CCEZHUSRSA-N
  Molecular Formula	C12H18BrN3

  

  
  

  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-mol1098 (Unknown Molecule) Molecule

  InChIKey	OTKUMVPKUYFCDX-CYYJNZCTSA-N
  Molecular Formula	C22H17BrF2N2

  

  
  

  Related Dataset(s)

  • 19F nuclear magnetic resonance spectroscopy (19F NMR)
  • infrared absorption spectroscopy (IR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • mass spectrometry (MS)
  • 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)

• nfdi4chem-mol11197(Unknown Molecule) Molecule

  InChIKey	IGXZMQCLUNTWCC-HSBKYFPUSA-N
  Molecular Formula	C29H21N5O8S2

  

  
  

  Related Dataset(s)

  • C.I. Direct Red 81; ESI-QTOF; MS2; CE: 40; [M+H]+
  • C.I. Direct Red 81; ESI-QTOF; MS2; CE: 20; [M+H]+
  • C.I. Direct Red 81; ESI-QTOF; MS2; CE: 40; [M-H]-
  • C.I. Direct Red 81; ESI-QTOF; MS2; CE: 20; [M-H]-
  • C.I. Direct Red 81; ESI-QTOF; MS2; CE: 10; [M-H]-
  • C.I. Direct Red 81; ESI-QTOF; MS2; CE: 10; [M+H]+

• nfdi4chem-mol1129 (Unknown Molecule) Molecule

  InChIKey	YRWKQOYWCXVFKL-WUKNDPDISA-N
  Molecular Formula	C15H14N2OS

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol1141 (Unknown Molecule) Molecule

  InChIKey	AFIPUVFHFZBOPG-TZXKVZDKSA-N

  

  
  

  Related Dataset(s)

  • Triplinone M[103]

• nfdi4chem-mol1215 (Unknown Molecule) Molecule

  InChIKey	UOIQAAKXUUCWQL-UHFFFAOYSA-P
  Molecular Formula	C6H18N4O6Pd

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol12193(Unknown Molecule) Molecule

  InChIKey	JTCUWWRWFRHYJL-UUSPVFOTSA-N
  Molecular Formula	C49H99O11P

  

  
  

  Related Dataset(s)

  • 2,3-di-O-Phytanyl-sn-glycerol-1-phosphoryl-myo-inositol; FAB-B; MS

• nfdi4chem-mol1224 (Unknown Molecule) Molecule

  InChIKey	WYXZJZJELYXRKK-CENQFKCESA-N

  

  
  

  Related Dataset(s)

  • 1d (mixture)[1H NMR]

• nfdi4chem-mol1234 (Unknown Molecule) Molecule

  InChIKey	ADGUCVKMBUJWJM-LSDHQDQOSA-N
  Molecular Formula	C17H21FN6

  

  
  

  Related Dataset(s)

  • heteronuclear single quantum coherence (HSQC)
  • 19F nuclear magnetic resonance spectroscopy (19F NMR)
  • distortionless enhancement with polarization transfer (DEPT)
  • distortionless enhancement with polarization transfer (DEPT)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • fast-atom bombardment mass spectrometry (FABMS)
  • infrared absorption spectroscopy (IR)
  • heteronuclear multiple bond coherence (HMBC)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)

• nfdi4chem-mol12343(Unknown Molecule) Molecule

  InChIKey	JXHFJGNSTCTXFP-UHFFFAOYSA-N
  Molecular Formula	C14H14SSi

  

  
  

  Related Dataset(s)

  • Dibenzo[b,d]thiophen-4-yldimethylsilane; GC-EI-TOF; MS; POSITIVE; 70 V

• nfdi4chem-mol12383(Unknown Molecule) Molecule

  InChIKey	QBKJPAWZEPDHGU-MDZDMXLPSA-N
  Molecular Formula	C8H20N4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol1242 (Unknown Molecule) Molecule

  InChIKey	LRYJYQKNRIGCKD-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • Compound_3_YAC_4P Rhodiflavan B[17]
  • Compound_3_YAC_4P Rhodiflavan B[15]
  • Compound_3_YAC_4P Rhodiflavan B[14]
  • Compound_3_YAC_4P Rhodiflavan B[13]
  • Compound_3_YAC_4P Rhodiflavan B[16]
  • Compound_3_YAC_4P Rhodiflavan B[12]
  • Compound_3_YAC_4P Rhodiflavan B[11]

• nfdi4chem-mol1243 (Unknown Molecule) Molecule

  InChIKey	SGEBRRSLLQTKFR-UHFFFAOYSA-N
  Molecular Formula	C19H18O

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol1247 (Unknown Molecule) Molecule

  InChIKey	DJGWMTKKMOZBMF-YVBDPAHPSA-N
  Molecular Formula	C38H28Br2N4O4

  

  
  

  Related Dataset(s)

  • mass spectrometry (MS)
  • X-ray diffraction (XRD)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • mass spectrometry (MS)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • infrared absorption spectroscopy (IR)

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