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25,361 molecules found

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• nfdi4chem-mol5385 (Unknown Molecule) Molecule

  InChIKey	AANJUNAVXMBOJA-UHFFFAOYSA-N
  Molecular Formula	C18H12N2O2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5388 (Unknown Molecule) Molecule

  InChIKey	BXDUCKWQNZDYCH-DISCXIJYSA-M

  

  
  

  Related Dataset(s)

  • wil139981_oa[4]
  • wil139981_oa[8]
  • wil139981_oa[6]
  • wil139981_oa[2]
  • wil139981_oa[1]
  • wil139981_oa[5]
  • wil139981_oa[10]
  • wil139981_oa[3]
  • wil139981_oa[7]
  • wil139981_oa[100004]
  • wil139981_oa[9]

• nfdi4chem-mol5389 (Unknown Molecule) Molecule

  InChIKey	RYDYGEZRGPERJG-OCOZRVBESA-N
  Molecular Formula	C20H11F3N2O4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5393 (Unknown Molecule) Molecule

  InChIKey	HFMOYRDGFWPLEG-UHFFFAOYSA-N
  Molecular Formula	C14H11FN2O

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol54033(Unknown Molecule) Molecule

  InChIKey	PIJYDARGDRWFFF-VZUCSPMQSA-N
  Molecular Formula	C7H9ClN4

  

  
  

  Related Dataset(s)

  • 2-CHLORO-5-DIMETHYLAMINOMETHYLENEAMINOPYRIMIDINE; EI-B; MS

• nfdi4chem-mol5410 (Unknown Molecule) Molecule

  InChIKey	HEHSFJCQRUUMBL-JFFOEUGHSA-N

  

  
  

  Related Dataset(s)

  • 1n (mixture)[1H NMR]

• nfdi4chem-mol5418 (Unknown Molecule) Molecule

  InChIKey	MNOHGWBWPZQDBO-UHFFFAOYSA-N
  Molecular Formula	C20H20O

  

  
  

  Related Dataset(s)

  • attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • high-resolution electrospray ionisation mass spectrometry (HRESIMS)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)

• nfdi4chem-mol5421 (Unknown Molecule) Molecule

  InChIKey	WDLIHINPCOOLNN-HPQLBDKKSA-N
  Molecular Formula	C74H52N6O4

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5422 (Unknown Molecule) Molecule

  InChIKey	SHYKEVBUJNGVOT-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 18d[18d-F.jdx]
  • 18d[18d-C.jdx]
  • 18d[18d-H.jdx]

• nfdi4chem-mol5423 (Unknown Molecule) Molecule

  InChIKey	VIFLTANPNKURJC-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • S4-7_SODXXIII_113E_FULL_Cu(OTf)2_C19_IMINE_D5_ALK_04_26_2022-CPS4-7[5]
  • S4-7_SODXXIII_113E_FULL_Cu(OTf)2_C19_IMINE_D5_ALK_04_26_2022-CPS4-7[3]
  • S4-7_SODXXIII_113E_FULL_Cu(OTf)2_C19_IMINE_D5_ALK_04_26_2022-CPS4-7[1]
  • S4-7_SODXXIII_113E_FULL_Cu(OTf)2_C19_IMINE_D5_ALK_04_26_2022-CPS4-7[6]
  • S4-7_SODXXIII_113E_FULL_Cu(OTf)2_C19_IMINE_D5_ALK_04_26_2022-CPS4-7[2]
  • S4-7_SODXXIII_113E_FULL_Cu(OTf)2_C19_IMINE_D5_ALK_04_26_2022-CPS4-7[4]
  • S4-7_SODXXIII_113E_FULL_Cu(OTf)2_C19_IMINE_D5_ALK_04_26_2022-CPS4-7[7]
  • S4-7_SODXXIII_113E_FULL_Cu(OTf)2_C19_IMINE_D5_ALK_04_26_2022-CPS4-7[8]

• nfdi4chem-mol5430 (Unknown Molecule) Molecule

  InChIKey	WKODVHZBYIBMOC-BUHFOSPRSA-N
  Molecular Formula	C12H10N2O2

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5447 (Unknown Molecule) Molecule

  InChIKey	VUVXXSCHOBBUQK-HLYBKJEQSA-N
  Molecular Formula	C35H43Cl3N2O16

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol5449 (Unknown Molecule) Molecule

  InChIKey	HFZLLXVBTVQNTC-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • Ir[Ir-1H]
  • Ir[Ir-13C]

• nfdi4chem-mol5460 (Unknown Molecule) Molecule

  InChIKey	DOJKYLSRROQVMZ-JRXBWLDWSA-M

  

  
  

  Related Dataset(s)

  • wil140082_oa[11]
  • wil140082_oa[1]
  • wil140082_oa[8]
  • wil140082_oa[6]
  • wil140082_oa[9]
  • wil140082_oa[5]
  • ghe-190515-093343_oa[1]
  • wil140082_oa[3]
  • wil140082_oa[7]
  • wil140082_oa[10]
  • wil140082_oa[4]
  • wil140082_oa[2]

• nfdi4chem-mol5464 (Unknown Molecule) Molecule

  InChIKey	YBCYHBWFSBWZBA-UHFFFAOYSA-L
  Molecular Formula	C22H36Cl2FeN8

  

  
  

  Related Dataset(s)

  • atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
  • attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
  • elemental analysis (EA)
  • single crystal X-ray diffraction (single-crystal X-ray diffraction)

• nfdi4chem-mol5465 (Unknown Molecule) Molecule

  InChIKey	HHCFQKKZIPIANV-CCEZHUSRSA-N
  Molecular Formula	C13H21N3O

  

  
  

  Related Dataset(s)

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

• nfdi4chem-mol5466 (Unknown Molecule) Molecule

  InChIKey	UBCARPNYXZQCKV-DHUJRADRSA-N

  

  
  

  Related Dataset(s)

  • Propyl pentyl Pre-final[1]
  • Propyl pentyl Pre-final[2]

• nfdi4chem-mol54686(Unknown Molecule) Molecule

  InChIKey	DMLAVOWQYNRWNQ-BUHFOSPRSA-N
  Molecular Formula	C12H10N2

  

  
  

  Related Dataset(s)

  • Azobenzene; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
  • AZOBENZENE; EI-B; MS
  • AZOBENZENE; EI-B; MS
  • Azobenzene; LC-ESI-QTOF; MS2; CE: Ramp 17.4-26.1 eV; R=35000; [M+H]+
  • Azobenzene; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
  • Azobenzene; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
  • Azobenzene; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
  • Azobenzene; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
  • Azobenzene; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
  • AZOBENZENE; EI-B; MS
  • Azobenzene; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
  • TRANS-AZOBENZENE; EI-B; MS
  • Azobenzene; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

• nfdi4chem-mol54789(Unknown Molecule) Molecule

  InChIKey	FPKDDRIXOSMQPI-UNZYHPAISA-N
  Molecular Formula	C15H14N2

  

  
  

  Related Dataset(s)

  • N-(3-Anilino-2-propenylidene)aniline; ESI-QTOF; MS2; CE: 20; [M+H]+
  • N-(3-Anilino-2-propenylidene)aniline; ESI-QTOF; MS2; CE: 40; [M+H]+
  • N-(3-Anilino-2-propenylidene)aniline; ESI-QTOF; MS2; CE: 10; [M+H]+

• nfdi4chem-mol54827(Unknown Molecule) Molecule

  InChIKey	SQOXGXCYIDDLGW-MBALSZOMSA-N
  Molecular Formula	C20H18N4O5S

  

  
  

  Related Dataset(s)

  • C.I. Acid Orange 24; ESI-QTOF; MS2; CE: 40; [M-H]-
  • C.I. Acid Orange 24; ESI-QTOF; MS2; CE: 20; [M-H]-
  • C.I. Acid Orange 24; ESI-QTOF; MS2; CE: 40; [M+H]+
  • C.I. Acid Orange 24; ESI-QTOF; MS2; CE: 10; [M+H]+
  • C.I. Acid Orange 24; ESI-QTOF; MS2; CE: 10; [M-H]-
  • C.I. Acid Orange 24; ESI-QTOF; MS2; CE: 20; [M+H]+

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