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23,343 molecules found

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• nfdi4chem-mol4585 (Unknown Molecule) Molecule

  InChIKey	DNJBLWURUYBMTK-QXWNKERDSA-N
  Molecular Formula	C51H40CuF3N2OP2

  

  
  

  Related Dataset(s)

  • single crystal X-ray diffraction (single-crystal X-ray diffraction)
  • high resolution fast-atom bombardment mass spectrometry (HRFABMS)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • proton-decoupled 31P nuclear magnetic resonance spectroscopy (31P{1H}-NMR)
  • 19F nuclear magnetic resonance spectroscopy (19F NMR)
  • elemental analysis (EA)
  • Fourier transform infrared spectroscopy (FTIR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)

• nfdi4chem-mol4587 (Unknown Molecule) Molecule

  InChIKey	CANOKIMVAFQSHL-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 16[7]
  • 16[3]
  • 16[4]
  • 16[6]
  • 16[1]

• nfdi4chem-mol45877(Unknown Molecule) Molecule

  InChIKey	DTRJDURRPWBDEY-BQASJOSNSA-N
  Molecular Formula	C21H20N4O5S

  

  
  

  Related Dataset(s)

  • Acid Orange 156; ESI-QTOF; MS2; CE: 10; [M-H]-
  • Acid Orange 156; ESI-QTOF; MS2; CE: 40; [M-H]-
  • Acid Orange 156; ESI-QTOF; MS2; CE: 20; [M+H]+
  • Acid Orange 156; ESI-QTOF; MS2; CE: 10; [M+H]+
  • Acid Orange 156; ESI-QTOF; MS2; CE: 20; [M-H]-
  • Acid Orange 156; ESI-QTOF; MS2; CE: 40; [M+H]+

• nfdi4chem-mol4601 (Unknown Molecule) Molecule

  InChIKey	LKNLOKPYKAMIKE-JYRVWZFOSA-N
  Molecular Formula	C11H14ClN

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol4605 (Unknown Molecule) Molecule

  InChIKey	KHGIJSNPMCJUJU-FOCLMDBBSA-N
  Molecular Formula	C14H23N3

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol4607 (Unknown Molecule) Molecule

  InChIKey	MBUQIVCWMPPRGO-WUKNDPDISA-N
  Molecular Formula	C15H25N3

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol4612 (Unknown Molecule) Molecule

  InChIKey	GFWPHXLFIUZHAB-CYOIZWBSSA-N
  Molecular Formula	C27H40N4O5

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol4615 (Unknown Molecule) Molecule

  InChIKey	CYCAXLGFKDSWNS-BYCLXTJYSA-N
  Molecular Formula	C24H30N6O

  

  
  

  Related Dataset(s)

  • distortionless enhancement with polarization transfer (DEPT)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • distortionless enhancement with polarization transfer (DEPT)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • distortionless enhancement with polarization transfer (DEPT)
  • distortionless enhancement with polarization transfer (DEPT)
  • infrared absorption spectroscopy (IR)
  • fast-atom bombardment mass spectrometry (FABMS)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • distortionless enhancement with polarization transfer (DEPT)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)

• nfdi4chem-mol4616 (Unknown Molecule) Molecule

  InChIKey	LAOJHVQNDLAHFY-LHEWISCISA-N

  

  
  

  Related Dataset(s)

  • Hexyl pentyl prefinal[1]

• nfdi4chem-mol4617 (Unknown Molecule) Molecule

  InChIKey	RATXZHAJRSTYOZ-QZQOTICOSA-N
  Molecular Formula	C16H22F2IN3O2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol4623 (Unknown Molecule) Molecule

  InChIKey	VTOQYSGXCLAIIC-JRMDJUBSSA-N
  Molecular Formula	C60H42N4Zn

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol4628 (Unknown Molecule) Molecule

  InChIKey	YJAIWVDPLYJOFU-UHFFFAOYSA-B
  Molecular Formula	C48H30N6O32Zr6------

  

  
  

  Related Dataset(s)

  • X-ray diffraction (XRD)
  • scanning electron microscopy (SEM)
  • dynamic light scattering (DLS)
  • secondary ion mass spectrometry imaging (SIMS imaging)
  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol4629 (Unknown Molecule) Molecule

  InChIKey	MCLGULJYFKGWKH-BEOOHURISA-L
  Molecular Formula	C13H28Cl2N4Zn

  

  
  

  Related Dataset(s)

  • process

• nfdi4chem-mol4640 (Unknown Molecule) Molecule

  InChIKey	QSWWQBROIRZJJT-DCWQJPKNSA-N
  Molecular Formula	C30H38N2O2

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol4663 (Unknown Molecule) Molecule

  InChIKey	IXMWRMWFCFDTKE-HIXPDHBDSA-N
  Molecular Formula	C45H30N4O

  

  
  

  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-mol46666(Unknown Molecule) Molecule

  InChIKey	ADTSNWYKAAWAQG-UHFFFAOYSA-N
  Molecular Formula	C12H10O5

  

  
  

  Related Dataset(s)

  • 2-HYDROXY-5,7-DIMETHOXY-1,4-NAPHTHOQUINONE; EI-B; MS

• nfdi4chem-mol4672(Unknown Molecule) Molecule

  InChIKey	CQIUKKVOEOPUDV-IYSWYEEDSA-N
  Molecular Formula	C13H14O5

  

  
  

  Related Dataset(s)

  • Citrinin; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 110%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 120%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITTOF; MS; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
  • Citrinin; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+

• nfdi4chem-mol4680 (Unknown Molecule) Molecule

  InChIKey	JGJBOZTZOHTXPZ-QZQOTICOSA-N
  Molecular Formula	C16H22BrF2N3O2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol4686 (Unknown Molecule) Molecule

  InChIKey	MUTUZTFDNMUQCN-VHDMFRCESA-N
  Molecular Formula	C12H17N3O8

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol4716 (Unknown Molecule) Molecule

  InChIKey	NLAKMHFYIWWGEC-RQIMWRLTSA-N
  Molecular Formula	C25H46O3Si

  

  
  

  Related Dataset(s)

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

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