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

*Links on SpectraBase are not permalinks.
2-[4-keto-4-methoxy-1-(phenylthio)butyl]pyrimidine-4,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID BLCeIUidBZL
InChI InChI=1S/C19H20N2O6S/c1-25-15(22)10-9-14(28-12-7-5-4-6-8-12)17-20-11-13(18(23)26-2)16(21-17)19(24)27-3/h4-8,11,14H,9-10H2,1-3H3
InChIKey CKJKXOVJLBPLTO-UHFFFAOYSA-N
Mol Weight 404.44 g/mol
Molecular Formula C19H20N2O6S
Exact Mass 404.104208 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 JHyp1QpKP54
Name 2-[4-keto-4-methoxy-1-(phenylthio)butyl]pyrimidine-4,5-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20N2O6S
InChI InChI=1S/C19H20N2O6S/c1-25-15(22)10-9-14(28-12-7-5-4-6-8-12)17-20-11-13(18(23)26-2)16(21-17)19(24)27-3/h4-8,11,14H,9-10H2,1-3H3
InChIKey CKJKXOVJLBPLTO-UHFFFAOYSA-N
Molecular Weight 404.437 g/mol
SMILES c1(nc(ncc1C(=O)OC)C(Sc1ccccc1)CCC(=O)OC)C(=O)OC
SPLASH splash10-0udi-0006900000-0ea30e5e066c0fad7803
Source of Spectrum J-61-2482-50
Synonyms 2-[4-methoxy-4-oxo-1-(phenylthio)butyl]pyrimidine-4,5-dicarboxylic acid dimethyl ester Dimethyl 2-(4-methoxy-4-oxidanylidene-1-phenylsulfanyl-butyl)pyrimidine-4,5-dicarboxylate Dimethyl 2-(4-methoxy-4-oxo-1-phenylsulfanyl-butyl)pyrimidine-4,5-dicarboxylate
Wiley ID 1371125