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25,361 molecules found

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• nfdi4chem-mol5103 (Unknown Molecule) Molecule

  InChIKey	QLIGIMXRYVZMLE-UHFFFAOYSA-N
  Molecular Formula	C23H23N

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5111 (Unknown Molecule) Molecule

  InChIKey	XUZXRALOPOUFGP-BMRADRMJSA-N
  Molecular Formula	C13H22N6

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5128 (Unknown Molecule) Molecule

  InChIKey	IVPBFMSIZQMZFX-FMQUCBEESA-N
  Molecular Formula	C16H12N4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5138 (Unknown Molecule) Molecule

  InChIKey	YBNRWMHGVFZGSH-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 32d[32d-C.jdx]
  • 32d[32d-H.jdx]

• nfdi4chem-mol51448(Unknown Molecule) Molecule

  InChIKey	JBDGDEWWOUBZPM-XYPYZODXSA-N
  Molecular Formula	C13H18Br2N2O

  

  
  

  Related Dataset(s)

  • Ambroxol; LC-ESI-Q; MS; POS; 15 V
  • Ambroxol; LC-ESI-Q; MS; POS; 30 V
  • Ambroxol; LC-ESI-Q; MS; POS; 90 V
  • Ambroxol; LC-ESI-Q; MS; POS; 60 V
  • Ambroxol; LC-ESI-Q; MS; POS; 75 V
  • Ambroxol; LC-ESI-Q; MS; POS; 45 V

• nfdi4chem-mol5148 (Unknown Molecule) Molecule

  InChIKey	RRBGJDFXUXNMPJ-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 25[1]
  • 25[2]

• nfdi4chem-mol5151 (Unknown Molecule) Molecule

  InChIKey	CJMUIZOABFWNQH-DYTRJAOYSA-N

  

  
  

  Related Dataset(s)

  • 4-5[6]
  • 4-5[1]
  • 4-5[8]
  • 4-5[3]
  • 4-5[4]
  • 4-5[5]
  • 4-5[7]

• nfdi4chem-mol5155 (Unknown Molecule) Molecule

  InChIKey	OMJKKBOLQUBALL-XYOKQWHBSA-N
  Molecular Formula	C11H14N2O2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5163 (Unknown Molecule) Molecule

  InChIKey	RCNYYMDCMMZZHZ-XNVMKGFESA-N

  

  
  

  Related Dataset(s)

  • Triplinone D[103]
  • Triplinone D[104]
  • Triplinone D[101]
  • Triplinone D[100]
  • Triplinone D[102]

• nfdi4chem-mol5167 (Unknown Molecule) Molecule

  InChIKey	FYZIILSNHDNCHB-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 1qa[1H NMR]

• nfdi4chem-mol5185(Unknown Molecule) Molecule

  InChIKey	PYFNALSBVCFOLS-AWNIVKPZSA-N
  Molecular Formula	C9H8F3N

  

  
  

  Related Dataset(s)

  • N-(3-TRIFLUOROMETHYLBENZYLIDENE)METHYLAMINE; EI-B; MS

• nfdi4chem-mol5213 (Unknown Molecule) Molecule

  InChIKey	OYDIPROZEFUHNQ-WUKNDPDISA-N
  Molecular Formula	C13H17FN4

  

  
  

  Related Dataset(s)

  • mass spectrometry (MS)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • 19F nuclear magnetic resonance spectroscopy (19F NMR)
  • infrared absorption spectroscopy (IR)
  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol5214 (Unknown Molecule) Molecule

  InChIKey	AKGYFUSNZBAETO-UHFFFAOYSA-N
  Molecular Formula	C25H20ClN

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5215 (Unknown Molecule) Molecule

  InChIKey	YTMDZVLVQKEENN-SMDKEBRUSA-N
  Molecular Formula	C120H72N12Ni3

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5230 (Unknown Molecule) Molecule

  InChIKey	SPLXPMIDJMIBDP-YPABLJGOSA-N

  

  
  

  Related Dataset(s)

  • Compound 11[13C]
  • Compound 11[1H]

• nfdi4chem-mol5233 (Unknown Molecule) Molecule

  InChIKey	WWKBLKXNILCANP-FMQUCBEESA-N
  Molecular Formula	C18H18N2OS2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol52335(Unknown Molecule) Molecule

  InChIKey	GQWBKIUFQRXJRP-ZKYHKDPYSA-N
  Molecular Formula	C48H85O13P

  

  
  

  Related Dataset(s)

  • Phosphatidylinositol 19:0-20:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 24.37; Exp: 2
  • Phosphatidylinositol 19:0-20:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 24.37; Exp: 1
  • Phosphatidylinositol 19:0-20:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 24.37; Exp: 3

• nfdi4chem-mol5239 (Unknown Molecule) Molecule

  InChIKey	NRDSGQJGOHZWEX-PMERELPUSA-N

  

  
  

  Related Dataset(s)

  • Butyl Nayori[4]
  • Butyl Nayori[3]
  • Butyl Nayori[1]
  • Butyl Nayori[2]

• nfdi4chem-mol5242 (Unknown Molecule) Molecule

  InChIKey	GGFVIHWRUFSKHJ-OCOZRVBESA-N
  Molecular Formula	C23H20N2OS2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5245 (Unknown Molecule) Molecule

  InChIKey	WXXZZALCBQFLSG-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 33d[33d-H.jdx]
  • 33d[33d-C.jdx]

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