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3-(2-mercaptopropyl)-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidine-2,4-quinone
SpectraBase Compound ID H487ZCWDu1i
InChI InChI=1S/C13H16N2O2S2/c1-7(18)6-15-12(16)10-8-4-2-3-5-9(8)19-11(10)14-13(15)17/h7,18H,2-6H2,1H3,(H,14,17)
InChIKey UKNUBDJUSGVZHS-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 5UBoonffJM1
Name 3-(2-mercaptopropyl)-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidine-2,4-quinone
Alternate Name(s) 3-(2-mercaptopropyl)-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione 3-(2-Sulfanylpropyl)-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidine-2,4-dione 3-(2-Sulfanylpropyl)-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O2S2
InChI InChI=1S/C13H16N2O2S2/c1-7(18)6-15-12(16)10-8-4-2-3-5-9(8)19-11(10)14-13(15)17/h7,18H,2-6H2,1H3,(H,14,17)
InChIKey UKNUBDJUSGVZHS-UHFFFAOYSA-N
Molecular Weight 296.403 g/mol
SMILES N1C(N(CC(S)C)C(c2c1sc1c2CCCC1)=O)=O
SPLASH splash10-00fr-0490000000-b76cb519c8f7e80f95ca
Source of Spectrum D8-328-232-3
Wiley ID 1515759