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25,361 molecules found

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• nfdi4chem-mol5487 (Unknown Molecule) Molecule

  InChIKey	DYSYYPJZFGJYMY-OOBAMIPXSA-J
  Molecular Formula	C82H54Cl2Mn2N8O4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5507 (Unknown Molecule) Molecule

  InChIKey	GTJYEJNVJGIRAH-WCWDXBQESA-N
  Molecular Formula	C22H20N2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5509 (Unknown Molecule) Molecule

  InChIKey	XNHZWBCDSBCRRY-UHFFFAOYSA-N
  Molecular Formula	C26H31FO3

  

  
  

  Related Dataset(s)

  • high-resolution mass spectrometry (HRMS)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol5517 (Unknown Molecule) Molecule

  InChIKey	PYIWRTYVVXWWHU-UHFFFAOYSA-N
  Molecular Formula	C18H19BrO

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)
  • process
  • size-exclusion chromatography (SEC)

• nfdi4chem-mol5530 (Unknown Molecule) Molecule

  InChIKey	CBYOSFCQMADOPG-UHFFFAOYSA-N
  Molecular Formula	C9H8O3S3

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5538 (Unknown Molecule) Molecule

  InChIKey	YHSWJHNLKVDXEK-CCEZHUSRSA-N
  Molecular Formula	C13H12N2S

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol5540 (Unknown Molecule) Molecule

  InChIKey	JBDIXWOMRIQTAS-CCEZHUSRSA-N
  Molecular Formula	C11H10FIN2S2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5542 (Unknown Molecule) Molecule

  InChIKey	NRXOWYGJRFFBLK-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 23d[23d-C.jdx]
  • 23d[23d-F.jdx]
  • 23d[23d-H.jdx]

• nfdi4chem-mol5557 (Unknown Molecule) Molecule

  InChIKey	PKNXRIUOSSUDRS-KTKRTIGZSA-N

  

  
  

  Related Dataset(s)

  • oleamidoethyl formate[2]
  • oleamidoethyl formate[8]
  • oleamidoethyl formate[5]
  • oleamidoethyl formate[3]
  • oleamidoethyl formate[6]
  • oleamidoethyl formate[4]
  • oleamidoethyl formate[7]

• nfdi4chem-mol55616(Unknown Molecule) Molecule

  InChIKey	DJVOKHFQPGWUPK-CONVNOKZSA-N
  Molecular Formula	C49H83O13P

  

  
  

  Related Dataset(s)

  • Phosphatidylinositol 18:0-22:6; LC-ESI-ITFT; MS2; [M-H]-; RT: 18.66; Exp: 1
  • Phosphatidylinositol 18:0-22:6; LC-ESI-ITFT; MS2; [M-H]-; RT: 18.74; Exp: 1
  • Phosphatidylinositol 18:0-22:6; LC-ESI-ITFT; MS2; [M-H]-; RT: 18.74; Exp: 3
  • Phosphatidylinositol 18:0-22:6; LC-ESI-ITFT; MS2; [M-H]-; RT: 18.74; Exp: 2
  • Phosphatidylinositol 18:0-22:6; LC-ESI-ITFT; MS2; [M-H]-; RT: 18.66; Exp: 3
  • Phosphatidylinositol 18:0-22:6; LC-ESI-ITFT; MS2; [M-H]-; RT: 18.66; Exp: 2

• nfdi4chem-mol5566 (Unknown Molecule) Molecule

  InChIKey	CCARFXUZEVVFKM-NUNPMISSSA-M

  

  
  

  Related Dataset(s)

  • wil139033_oa[5]
  • wil139033_oa[1]
  • wil139033_oa[13]
  • wil139033_oa[6]
  • wil139033_oa[8]
  • wil139033_oa[2]
  • wil139033_oa[3]
  • wil139033_oa.hmbc
  • wil139033_oa.1d
  • wil139033_oa[9]
  • wil139033_oa[4]
  • wil139033_oa[7]
  • wil139033_oa[12]

• nfdi4chem-mol55704(Unknown Molecule) Molecule

  InChIKey	OZKYWOIOCNSWGR-YPKPFQOOSA-N
  Molecular Formula	C12H28N4

  

  
  

  Related Dataset(s)

  • 3-ETHYL-1,5,5-TRIPROPYL-3,4-DIHYDROFORMAZAN; EI-B; MS
  • 3-ETHYL-1,5,5-TRIPROPYL-3,4-DIHYDROFORMAZAN; EI-B; MS

• nfdi4chem-mol55721(Unknown Molecule) Molecule

  InChIKey	RWKJTIHNYSIIHW-WYVZXCPWSA-N
  Molecular Formula	C18H30O4

  

  
  

  Related Dataset(s)

  • 9-HpOTrE; LC-ESI-QIT; MS2; CE:15 V; [M-H]-
  • 9-HpOTrE; LC-ESI-QIT; MS2; CE:20 V; [M-H]-
  • 9-HpOTrE; LC-ESI-QIT; MS2; CE:35 V; [M-H]-
  • 9-HpOTrE; LC-ESI-QIT; MS2; CE:10 V; [M-H]-
  • 9-HpOTrE; LC-ESI-QIT; MS2; CE:40 V; [M-H]-
  • 9-HpOTrE; LC-ESI-QIT; MS2; CE:45 V; [M-H]-
  • 9-HpOTrE; LC-ESI-QIT; MS2; CE:25 V; [M-H]-
  • 9-HpOTrE; LC-ESI-QIT; MS2; CE:50 V; [M-H]-
  • 9-HpOTrE; LC-ESI-QIT; MS2; CE:30 V; [M-H]-

• nfdi4chem-mol5579 (Unknown Molecule) Molecule

  InChIKey	WQAVCJKFKKPKTF-FJEPWZHXSA-N

  

  
  

  Related Dataset(s)

  • 7_SODXXI-052_FractionE_PTLC1_C19_imine_Schonecker_5beta_reduced_08_04_2021_FULL-CP7[2]
  • 7_SODXXI-052_FractionE_PTLC1_C19_imine_Schonecker_5beta_reduced_08_04_2021_FULL-CP7[3]
  • 7_SODXXI-052_FractionE_PTLC1_C19_imine_Schonecker_5beta_reduced_08_04_2021_FULL-CP7[5]
  • 7_SODXXI-052_FractionE_PTLC1_C19_imine_Schonecker_5beta_reduced_08_04_2021_FULL-CP7[9]
  • 7_SODXXI-052_FractionE_PTLC1_C19_imine_Schonecker_5beta_reduced_08_04_2021_FULL-CP7[8]
  • 7_SODXXI-052_FractionE_PTLC1_C19_imine_Schonecker_5beta_reduced_08_04_2021_FULL-CP7[6]
  • 7_SODXXI-052_FractionE_PTLC1_C19_imine_Schonecker_5beta_reduced_08_04_2021_FULL-CP7[7]
  • 7_SODXXI-052_FractionE_PTLC1_C19_imine_Schonecker_5beta_reduced_08_04_2021_FULL-CP7[1]
  • 7_SODXXI-052_FractionE_PTLC1_C19_imine_Schonecker_5beta_reduced_08_04_2021_FULL-CP7[10]
  • 7_SODXXI-052_FractionE_PTLC1_C19_imine_Schonecker_5beta_reduced_08_04_2021_FULL-CP7[4]

• nfdi4chem-mol5592 (Unknown Molecule) Molecule

  InChIKey	UDTNTZNAOIFOQP-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • Sali_Eth[6]
  • Sali_Eth[2]
  • Sali_Eth[1]
  • Sali_Eth[11]
  • Sali_Eth.hmbc
  • Sali_Eth[5]

• nfdi4chem-mol5597 (Unknown Molecule) Molecule

  InChIKey	GIFMSZUBKWTKPU-QURGRASLSA-N
  Molecular Formula	C14H17F6N3

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5598 (Unknown Molecule) Molecule

  InChIKey	ZDYYYIGTVOCEMS-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 12c_JCAMP[12c_HEE296.jdx]
  • 11c_JCAMP[11c_HEE297.jdx]

• nfdi4chem-mol5607 (Unknown Molecule) Molecule

  InChIKey	RJSLECSNCPOVEH-UHFFFAOYSA-N
  Molecular Formula	C40H58N6O13

  

  
  

  Related Dataset(s)

  • process
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • process
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • high-resolution mass spectrometry (HRMS)
  • process

• nfdi4chem-mol5617 (Unknown Molecule) Molecule

  InChIKey	AONLLYWWGOIMLR-XUTLUUPISA-N
  Molecular Formula	C17H22N6

  

  
  

  Related Dataset(s)

  • distortionless enhancement with polarization transfer (DEPT)
  • mass spectrometry (MS)
  • mass spectrometry (MS)
  • 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)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • heteronuclear single quantum coherence (HSQC)
  • distortionless enhancement with polarization transfer (DEPT)
  • infrared absorption spectroscopy (IR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • distortionless enhancement with polarization transfer (DEPT)
  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol56170(Unknown Molecule) Molecule

  InChIKey	VAIRPKPEPRJXML-NHBSDZJZSA-N
  Molecular Formula	C22H30O5

  

  
  

  Related Dataset(s)

  • (10E,14E)-5-ACETOXY-6,7-EPOXY-6,10,14-TRIMETHYL-3-METHYLENE-3A,6,7,8,9,12,13,15A-OCTAHYDROCYCLOTETRADECA(B)FURAN-2(3H),5(4H)-DIONE; EI-B; MS

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