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3-(3-mercaptopropyl)-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidine-2,4-quinone
SpectraBase Compound ID 4N87DgsocaZ
InChI InChI=1S/C13H16N2O2S2/c16-12-10-8-4-1-2-5-9(8)19-11(10)14-13(17)15(12)6-3-7-18/h18H,1-7H2,(H,14,17)
InChIKey WAFKKTWDCDUFKS-UHFFFAOYSA-N
Mol Weight 296.4 g/mol
Molecular Formula C13H16N2O2S2
Exact Mass 296.06532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 576A5EP2XpJ
Name 3-(3-mercaptopropyl)-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidine-2,4-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O2S2
InChI InChI=1S/C13H16N2O2S2/c16-12-10-8-4-1-2-5-9(8)19-11(10)14-13(17)15(12)6-3-7-18/h18H,1-7H2,(H,14,17)
InChIKey WAFKKTWDCDUFKS-UHFFFAOYSA-N
Molecular Weight 296.403 g/mol
SMILES N1C(N(CCCS)C(c2c1sc1c2CCCC1)=O)=O
SPLASH splash10-004i-0980000000-770282c74544f2709655
Source of Spectrum D8-328-232-3
Synonyms 3-(3-mercaptopropyl)-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione 3-(3-Sulfanylpropyl)-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidine-2,4-dione 3-(3-Sulfanylpropyl)-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
Wiley ID 1515760