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4(1H)-quinazolinone, 2-[(carboxythio)methyl]-

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4(1H)-quinazolinone, 2-[(carboxythio)methyl]-
SpectraBase Compound ID 28pAqmk9UmD
InChI InChI=1S/C10H8N2O3S/c13-9-6-3-1-2-4-7(6)11-8(12-9)5-16-10(14)15/h1-4H,5H2,(H,14,15)(H,11,12,13)
InChIKey XNIDBGFRUXIQHS-UHFFFAOYSA-N
Mol Weight 236.24 g/mol
Molecular Formula C10H8N2O3S
Exact Mass 236.025563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXlskB1IsId
Name S-[(4-oxo-1,4-dihydro-2-quinazolinyl)methyl] hydrogen thiocarbonate
Alternate Name(s) Thiocarbonic acid S-(4-oxo-1,4-dihydro-quinazolin-2-ylmethyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8N2O3S
InChI InChI=1S/C10H8N2O3S/c13-9-6-3-1-2-4-7(6)11-8(12-9)5-16-10(14)15/h1-4H,5H2,(H,14,15)(H,11,12,13)
InChIKey XNIDBGFRUXIQHS-UHFFFAOYSA-N
Molecular Weight 236.245 g/mol
SMILES N1c2ccccc2C(N=C1CSC(=O)O)=O
SPLASH splash10-00kg-9820000000-fb5e38451df3d60034ff
Wiley ID 1451588