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[1]Benzothieno[2,3-d]pyrimidine-3-acetonitrile, 3,4,5,6,7,8-hexahydro-4-oxo-
SpectraBase Compound ID LlOFyZXAXQJ
InChI InChI=1S/C12H11N3OS/c13-5-6-15-7-14-11-10(12(15)16)8-3-1-2-4-9(8)17-11/h7H,1-4,6H2
InChIKey YFBBWGDBRDJOLR-UHFFFAOYSA-N
Mol Weight 245.3 g/mol
Molecular Formula C12H11N3OS
Exact Mass 245.062283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImEPkxweycy
Name [1]Benzothieno[2,3-d]pyrimidine-3-acetonitrile, 3,4,5,6,7,8-hexahydro-4-oxo-
Alternate Name(s) 2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetonitrile 2-(4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)acetonitrile 2-(4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3OS
InChI InChI=1S/C12H11N3OS/c13-5-6-15-7-14-11-10(12(15)16)8-3-1-2-4-9(8)17-11/h7H,1-4,6H2
InChIKey YFBBWGDBRDJOLR-UHFFFAOYSA-N
Molecular Weight 245.300 g/mol
SMILES C1c2sc3c(c2CCC1)C(=O)N(CC#N)C=N3
SPLASH splash10-05mk-4490000000-8a6ca9f117497a4f17b8
Source of Spectrum IY-1-4406-8
Wiley ID 1652051