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23,335 molecules found

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• nfdi4chem-mol3597 (Unknown Molecule) Molecule

  InChIKey	MWVAGKQYWKRLSZ-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 8d[8d-H.jdx]
  • 8d[8d-C.jdx]

• nfdi4chem-mol3599 (Unknown Molecule) Molecule

  InChIKey	ORGXHYLYJWAPGV-UHFFFAOYSA-N
  Molecular Formula	C24H26N2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3601 (Unknown Molecule) Molecule

  InChIKey	GBVQUHULADMNBR-BQSGVUBFSA-N

  

  
  

  Related Dataset(s)

  • 20170322_JVN-240872-1.MP300[PROTON_01.fid]

• nfdi4chem-mol3608 (Unknown Molecule) Molecule

  InChIKey	VELVOZIFRNAOHG-DINQAQKLSA-K
  Molecular Formula	C17H19Cl3FeN5

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3618 (Unknown Molecule) Molecule

  InChIKey	BHYAUNHYQIYLTH-GHMGYCISSA-N
  Molecular Formula	C56H66N10O10

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol3640 (Unknown Molecule) Molecule

  InChIKey	SSDAPHKBPYAYKP-YVFGNCJRSA-N
  Molecular Formula	C38H25BrN4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3644 (Unknown Molecule) Molecule

  InChIKey	XJOCVOJTZFLEJH-GHVJWSGMSA-N
  Molecular Formula	C20H13FN2O4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3645 (Unknown Molecule) Molecule

  InChIKey	LSSDECUCLFXXAD-UHFFFAOYSA-M
  Molecular Formula	C59H47AuClF6N5P2Ru

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol36473(Unknown Molecule) Molecule

  InChIKey	QOSPLQZCACBVCZ-KINRRXRNSA-N
  Molecular Formula	C59H119O11P

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3649 (Unknown Molecule) Molecule

  InChIKey	JGEVTMYRFYNZPZ-VHEBQXMUSA-N
  Molecular Formula	C16H20BrN3

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3651 (Unknown Molecule) Molecule

  InChIKey	KWTWXAVIQVXOAD-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 37d[37d-C.jdx]
  • 37d[37d-H.jdx]

• nfdi4chem-mol36756(Unknown Molecule) Molecule

  InChIKey	ZTWZVMIYIIVABD-OEMFJLHTSA-N
  Molecular Formula	C29H41NO7

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3692 (Unknown Molecule) Molecule

  InChIKey	NVQFHMAGCYDRGO-BYYHNAKLSA-N
  Molecular Formula	C26H18N2O4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3697 (Unknown Molecule) Molecule

  InChIKey	DITPAZYSGGCKHL-DHUJRADRSA-N

  

  
  

  Related Dataset(s)

  • Propyl cyclopentyl Pre-Final[1]
  • Propyl cyclopentyl Pre-Final[2]

• nfdi4chem-mol3713 (Unknown Molecule) Molecule

  InChIKey	MBWIREGTABCVLT-XBHMSOGKSA-N

  

  
  

  Related Dataset(s)

  • 20170302_WHE245909-COL1.MP300[PROTON_01.fid]

• nfdi4chem-mol3728 (Unknown Molecule) Molecule

  InChIKey	FTACOOSVSBQWMY-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 26d[26d-H.jdx]

• nfdi4chem-mol3758 (Unknown Molecule) Molecule

  InChIKey	YHBMLAQTMONAJN-WPEMNMMSSA-N

  

  
  

  Related Dataset(s)

  • AEIII-087B_C1_C17_OH_C3_OPiv_09.21.2024_FULL[8]

• nfdi4chem-mol3760 (Unknown Molecule) Molecule

  InChIKey	MORMFGNFEXIKDM-IMVLJIQESA-N
  Molecular Formula	C23H36N6O

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3777 (Unknown Molecule) Molecule

  InChIKey	RQOSPZJYTJGQDF-YPKPFQOOSA-N

  

  
  

  Related Dataset(s)

  • KL-MDK3-142_New-6[3]
  • KL-MDK3-142_New-6[2]

• nfdi4chem-mol3785 (Unknown Molecule) Molecule

  InChIKey	YVEBXDWQDGJNHQ-HTXNQAPBSA-N

  

  
  

  Related Dataset(s)

  • 8[6]
  • 7[3]
  • 7[8]
  • 7[6]
  • 7[9]
  • 8[4]
  • 7[10]
  • 7[5]

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