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23,294 molecules found

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• nfdi4chem-mol29513(Unknown Molecule) Molecule

  InChIKey	BUFFKORPJSMABA-UHFFFAOYSA-N
  Molecular Formula	C9H10O4

  

  
  

  Related Dataset(s)

  • 2-HYDROXY-6-METHOXY-3,5-DIMETHYL-1,4-BENZOQUINONE; EI-B; MS

• nfdi4chem-mol29563(Unknown Molecule) Molecule

  InChIKey	MNULEGDCPYONBU-MAOZEBSWSA-N
  Molecular Formula	C45H74O11

  

  
  

  Related Dataset(s)

  • OLIGOMYCIN-A; FD-B; MS

• nfdi4chem-mol2957 (Unknown Molecule) Molecule

  InChIKey	ICNYDKMJUZCBHJ-GHVJWSGMSA-N
  Molecular Formula	C14H16BrF6N3

  

  
  

  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-mol2962 (Unknown Molecule) Molecule

  InChIKey	YIDDXOXNIPMZJI-UHFFFAOYSA-N
  Molecular Formula	C22H12F2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol2965 (Unknown Molecule) Molecule

  InChIKey	ZIFBKQWXTNJAAS-YRNVUSSQSA-N
  Molecular Formula	C9H11N3O2

  

  
  

  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-mol2984 (Unknown Molecule) Molecule

  InChIKey	ALXUTGSUUMJPKJ-CXXARDSRSA-N

  

  
  

  Related Dataset(s)

  • Compound 2[3]
  • Compound 2[2]

• nfdi4chem-mol2990 (Unknown Molecule) Molecule

  InChIKey	SQELSYLGCLCOLU-UHFFFAOYSA-M
  Molecular Formula	C16H27ClCuN5O4

  

  
  

  Related Dataset(s)

  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • process

• nfdi4chem-mol2996 (Unknown Molecule) Molecule

  InChIKey	VHDGMVPZVVGIBB-HTXNQAPBSA-N
  Molecular Formula	C15H24N6

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol30116(Unknown Molecule) Molecule

  InChIKey	MDKISTZNRFJSFI-IZZDOVSWSA-N
  Molecular Formula	C8H12N4S

  

  
  

  Related Dataset(s)

  • 5-DIMETHYLAMINOMETHYLENEAMINO-2-METHYLTHIOPYRIMIDINE; EI-B; MS

• nfdi4chem-mol3033 (Unknown Molecule) Molecule

  InChIKey	BZKSZHYSBVPMTQ-PAOGYPPFSA-K
  Molecular Formula	C120H72Cl3Mn3N12

  

  
  

  Related Dataset(s)

  • mass spectrometry (MS)
  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol3036 (Unknown Molecule) Molecule

  InChIKey	FXCSNJQTRVVMGS-QTOZILHFSA-N

  

  
  

  Related Dataset(s)

  • AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL[7]
  • AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL[6]
  • AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL[1]
  • AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL[2]
  • AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL[4]
  • AEII-033B_NaBH4_on_1_17_diketone_3OPiv_dienone_A_ring_12_15_2023_FULL[3]

• nfdi4chem-mol3051 (Unknown Molecule) Molecule

  InChIKey	DBBXIWAKMSMPDQ-SNCSUOKWSA-N
  Molecular Formula	C32H31N

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)
  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol3055 (Unknown Molecule) Molecule

  InChIKey	NIFBPGIPKUCKII-NVQSTNCTSA-N
  Molecular Formula	C25H35F3N4O

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3056 (Unknown Molecule) Molecule

  InChIKey	YFZLOXRDAILZJI-GQUQAWAPSA-N

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3064 (Unknown Molecule) Molecule

  InChIKey	FOYMEOJCEKDLDD-UHFFFAOYSA-N
  Molecular Formula	C23H23N

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol3077 (Unknown Molecule) Molecule

  InChIKey	YRODUCXAHMPKGF-RZLQRFPPSA-N
  Molecular Formula	C182H252Br2N40O96S2

  

  
  

  Related Dataset(s)

  • electrospray ionisation time-of-flight quadrupole detection (ESI Q-TOF)
  • diffusion-ordered spectroscopy (DOSY)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)

• nfdi4chem-mol3078 (Unknown Molecule) Molecule

  InChIKey	QHVLNCFNQKKAPJ-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 20220808-VS-Diterpen 11[10]
  • 20220808-VS-Diterpen 11[15]
  • 20220808-VS-Diterpen 11[12]
  • VS-20221016-Crude Yeast Extract-Peak 2[10]
  • 20220808-VS-Diterpen 11[11]
  • 20220808-VS-Diterpen 11[13]
  • 20220808-VS-Diterpen 11[14]

• nfdi4chem-mol3096 (Unknown Molecule) Molecule

  InChIKey	BNERSLYPSYJWCL-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • Calancardin B[1H]
  • Calancardin B[NOESY]
  • Calancardin B[HMBC]
  • Calancardin B[HSQC]
  • Calancardin B[COSY]
  • Calancardin B[13C]

• nfdi4chem-mol3108 (Unknown Molecule) Molecule

  InChIKey	XUCIJNAGGSZNQT-NZTIWLTLSA-N

  

  
  

  Related Dataset(s)

  • Amygdalin.hsqc
  • Amygdalin.hmbc
  • Amygdalin.c13
  • Amygdalin.cosy
  • Amygdalin.proton
  • Amygdalin.noesy

• nfdi4chem-mol31118(Unknown Molecule) Molecule

  InChIKey	RLZXDWFMBVCZEM-ZSOIEALJSA-N
  Molecular Formula	C20H21FN4O3

  

  
  

  Related Dataset(s)

  • sunitinib_BTP_M14; LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+

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