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25,361 molecules found

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• nfdi4chem-mol5819 (Unknown Molecule) Molecule

  InChIKey	JDTNNFQGVPIDIT-MRRLHAJBSA-M
  Molecular Formula	C28H24F2IN3

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol58200(Unknown Molecule) Molecule

  InChIKey	QAOYQEIOBPZFPB-VHZSRAIHSA-N
  Molecular Formula	C45H79O13P

  

  
  

  Related Dataset(s)

  • Phosphatidylinositol 16:0-20:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 13.77; Exp: 2
  • Phosphatidylinositol 16:0-20:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 13.77; Exp: 1
  • Phosphatidylinositol 16:0-20:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 13.71; Exp: 1
  • Phosphatidylinositol 16:0-20:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 13.77; Exp: 3
  • Phosphatidylinositol 16:0-20:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 13.71; Exp: 2
  • Phosphatidylinositol 16:0-20:4; LC-ESI-ITFT; MS2; [M-H]-; RT: 13.71; Exp: 3

• nfdi4chem-mol5821 (Unknown Molecule) Molecule

  InChIKey	JAKJGLBCAUIJIV-UHFFFAOYSA-N
  Molecular Formula	C22H24O4

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)
  • high-resolution mass spectrometry (HRMS)

• nfdi4chem-mol5822 (Unknown Molecule) Molecule

  InChIKey	FMUKFODCTRTDKV-QOOZVVKLSA-N

  

  
  

  Related Dataset(s)

  • Hydroxysafflor yellow A.cosy
  • Hydroxysafflor yellow A.hmbc
  • Hydroxysafflor yellow A.1d
  • Hydroxysafflor yellow A.hsqc
  • Hydroxysafflor yellow A.cosy
  • Hydroxysafflor yellow A.1d

• nfdi4chem-mol5832 (Unknown Molecule) Molecule

  InChIKey	NSKGGXKWAKUCKB-UHFFFAOYSA-N
  Molecular Formula	C21H20N2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5834 (Unknown Molecule) Molecule

  InChIKey	NTONJESKVXIAMK-WYFGTUCQSA-N

  

  
  

  Related Dataset(s)

  • Compound 17[HMBC]
  • Compound 17[HSQC]

• nfdi4chem-mol5837 (Unknown Molecule) Molecule

  InChIKey	BQMSTPGFFDEYBV-AQNFWKISSA-N

  

  
  

  Related Dataset(s)

  • olindenone B (2)[COSY]
  • olindenone B (2)[NOESY]
  • olindenone B (2)[HMBC]
  • olindenone B (2)[1H]
  • olindenone B (2)[HMQC]

• nfdi4chem-mol5839 (Unknown Molecule) Molecule

  InChIKey	QXDJODOFZBVGJC-RGNLWQAKSA-N
  Molecular Formula	C52H42N4O6

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5846 (Unknown Molecule) Molecule

  InChIKey	YXKYCZDASGQPOJ-UHFFFAOYSA-N
  Molecular Formula	C14H8F3NO4

  

  
  

  Related Dataset(s)

  • attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
  • 19F nuclear magnetic resonance spectroscopy (19F NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)

• nfdi4chem-mol5855 (Unknown Molecule) Molecule

  InChIKey	WGEQYAUFPWFRFW-PBDMMGFFSA-L
  Molecular Formula	C82H50Cl2Mn2N8

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5858 (Unknown Molecule) Molecule

  InChIKey	SFAHVCWPDWRFQP-YCSXYCTESA-N

  

  
  

  Related Dataset(s)

  • Triplinine J[102]

• nfdi4chem-mol5876 (Unknown Molecule) Molecule

  InChIKey	RFSRWBGXYKVPSK-YTTGMZPUSA-N

  

  
  

  Related Dataset(s)

  • Hexyl Nayori.topspin[1]
  • Hexyl Nayori.topspin[3]

• nfdi4chem-mol58800(Unknown Molecule) Molecule

  InChIKey	IYMLUHWAJFXAQP-UHFFFAOYSA-N
  Molecular Formula	C16H17N3O5S

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5887 (Unknown Molecule) Molecule

  InChIKey	DLVNDLUBAHMDDX-KOVSQTEASA-L
  Molecular Formula	C17H19Cl2N5Zn

  

  
  

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

• nfdi4chem-mol58912(Unknown Molecule) Molecule

  InChIKey	AEFPCFUCFQBXDQ-WDNDVIMCSA-N
  Molecular Formula	C17H23NO4

  

  
  

  Related Dataset(s)

  • Convolamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
  • Convolamine; LC-ESI-QQQ; MS; [M+H]+
  • Convolamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
  • Convolamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
  • Convolamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+

• nfdi4chem-mol5896 (Unknown Molecule) Molecule

  InChIKey	UMMQIWZYOPUDQU-UHFFFAOYSA-L
  Molecular Formula	C32H40CuF6N8O6S2

  

  
  

  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)

• nfdi4chem-mol59115(Unknown Molecule) Molecule

  InChIKey	CYDMQBQPVICBEU-XRNKAMNCSA-N
  Molecular Formula	C22H23ClN2O8

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5914 (Unknown Molecule) Molecule

  InChIKey	MFYKDMZDJHSTQM-RCZOLUBLSA-N
  Molecular Formula	C23H24F6N5OPRu

  

  
  

  Related Dataset(s)

  • fast-atom bombardment mass spectrometry (FABMS)
  • high resolution fast-atom bombardment mass spectrometry (HRFABMS)
  • attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)

• nfdi4chem-mol5933 (Unknown Molecule) Molecule

  InChIKey	IIUHRCTVDJSFPI-STJSRQNLSA-N
  Molecular Formula	C21H30PtSi

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5936 (Unknown Molecule) Molecule

  InChIKey	ASJIEAFMTIGFLR-OCOZRVBESA-N
  Molecular Formula	C22H17FN2O4

  

  
  

  Related Dataset(s)

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

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