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23,294 molecules found

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• nfdi4chem-mol2136 (Unknown Molecule) Molecule

  InChIKey	AOLYKSFQCHYCOJ-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 31d[31d-C.jdx]
  • 31d[31d-H.jdx]

• nfdi4chem-mol2147 (Unknown Molecule) Molecule

  InChIKey	JUEVFIVBBAYMLV-BEOOHURISA-L
  Molecular Formula	C13H30Br2N4Zn

  

  
  

  Related Dataset(s)

  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • process

• nfdi4chem-mol2150 (Unknown Molecule) Molecule

  InChIKey	QWBMUMDCTHOPNH-GLKPFBITSA-N
  Molecular Formula	C48H41CuN2P2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol2151 (Unknown Molecule) Molecule

  InChIKey	UTTKVMHWGIKPHU-CCEZHUSRSA-N
  Molecular Formula	C11H10I2N2S2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol2156 (Unknown Molecule) Molecule

  InChIKey	YNLIMFOLNGEMEO-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • Caledonixanthone N[Caledonixanthone N_HMQC.jdf]
  • Caledonixanthone N[Caledonixanthone N_Proton.jdf]
  • Caledonixanthone N[Caledonixanthone N_HMBC.jdf]
  • Caledonixanthone N[Caledonixanthone N_Carbon.jdf]

• nfdi4chem-mol2162 (Unknown Molecule) Molecule

  InChIKey	GHGFCEMMULADQX-IFQUFVRCSA-N
  Molecular Formula	C40H47N3

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol21664(Unknown Molecule) Molecule

  InChIKey	MZTPSSNCTBEIEA-PHZHXBCNSA-N
  Molecular Formula	C20H30O

  

  
  

  Related Dataset(s)

  • (1S,2E,4E,7E,11E)-10-OXOCEMBRA-2,4,7,11-TETRAENE; EI-B; MS

• nfdi4chem-mol2181 (Unknown Molecule) Molecule

  InChIKey	AJBQSDNRCYXOCN-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 12d[12d-H.jdx]

• nfdi4chem-mol2194 (Unknown Molecule) Molecule

  InChIKey	BBXJSLXPCZXILR-CZIZESTLSA-N
  Molecular Formula	C16H28N6O3

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol2220 (Unknown Molecule) Molecule

  InChIKey	BKJMAQBEMNSABP-YPTRVNJOSA-N
  Molecular Formula	C40H51ClNORu

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol2233 (Unknown Molecule) Molecule

  InChIKey	VBPWJHPNQXHQFS-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • TBDPS Bn Br CHO[2]

• nfdi4chem-mol22410(Unknown Molecule) Molecule

  InChIKey	XTUPRRZRWPZCTF-BUHFOSPRSA-N
  Molecular Formula	C12H8N4O5

  

  
  

  Related Dataset(s)

  • 3,3'-DINITROAZOXYBENZENE; EI-B; MS

• nfdi4chem-mol2247 (Unknown Molecule) Molecule

  InChIKey	LVKRSCJWBOINAE-KOVSQTEASA-L
  Molecular Formula	C17H21Cl2N5Zn

  

  
  

  Related Dataset(s)

  • attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
  • elemental analysis (EA)
  • single crystal X-ray diffraction (single-crystal X-ray diffraction)
  • 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)

• nfdi4chem-mol2256 (Unknown Molecule) Molecule

  InChIKey	SEIPTJVGAIHPIF-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 26[4]
  • 26[1]
  • 26[2]
  • 26[5]
  • 26[7]
  • 26[6]
  • 26[3]

• nfdi4chem-mol2278 (Unknown Molecule) Molecule

  InChIKey	LCCGLOMYKGUPDQ-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 5d[5d-H.jdx]
  • 5d[5d-C.jdx]

• nfdi4chem-mol2312 (Unknown Molecule) Molecule

  InChIKey	HQHZDBXYFIVEOE-CCEZHUSRSA-N
  Molecular Formula	C13H19N3O2

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol2320 (Unknown Molecule) Molecule

  InChIKey	ZDABJYRHAPYMAL-AUSIHYDXSA-A
  Molecular Formula	C184H168Au2F60N16O16P10Ru8

  

  
  

  Related Dataset(s)

  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 1H-1H only para-hydrogen spectroscopy correlation spectroscopy (1H-1H OPSY-COSY)
  • 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
  • desorption electrospray ionisation mass spectrometry (DESIMS)
  • ultraviolet-visible spectrophotometry (UV-VIS)

• nfdi4chem-mol2329 (Unknown Molecule) Molecule

  InChIKey	GBZPYVWFOZYBSN-BEOOHURISA-L
  Molecular Formula	C13H26Cl2N4Zn

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)
  • elemental analysis (EA)
  • mass spectrometry (MS)

• nfdi4chem-mol2338 (Unknown Molecule) Molecule

  InChIKey	CVZWWCQBQXVYQE-UHFFFAOYSA-N
  Molecular Formula	C48H42N2O4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol2341 (Unknown Molecule) Molecule

  InChIKey	LHMWSPKXZZITTJ-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • Compound_1_YAC_1I_NMReDATA_MNova_OrigFIDs.1d
  • Compound_1_YAC_1I_NMReDATA_MNova_OrigFIDs[30]
  • Compound_1_YAC_1I_NMReDATA_MNova_OrigFIDs[80]
  • Compound_1_YAC_1I_NMReDATA_MNova_OrigFIDs[60]
  • Compound_1_YAC_1I_NMReDATA_MNova_OrigFIDs.hsqc

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