For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
benzyl 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
SpectraBase Compound ID 29Q5YE09BpK
InChI InChI=1S/C13H13N3O3S/c14-10-6-11(17)16-13(15-10)20-8-12(18)19-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H3,14,15,16,17)
InChIKey ANVBHQDCXZYMGQ-UHFFFAOYSA-N
Mol Weight 291.32 g/mol
Molecular Formula C13H13N3O3S
Exact Mass 291.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6qmERr8l1EB
Name benzyl 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O3S
InChI InChI=1S/C13H13N3O3S/c14-10-6-11(17)16-13(15-10)20-8-12(18)19-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H3,14,15,16,17)
InChIKey ANVBHQDCXZYMGQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.1122
Molecular Weight 291.325 g/mol
SMILES NC=1N=C(SCC(=O)OCc2ccccc2)NC(C1)=O
SPLASH splash10-001i-1900000000-fd39bf9a2f52217dc533
Source of Spectrum RCM-17-1919-5
Synonyms benzyl 2-((4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetate
Wiley ID 1819903