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

*Links on SpectraBase are not permalinks.
5-(Chloroacetyl)-1,3-diethyl-2-thiobarbituric acid
SpectraBase Compound ID 5mKZdGZ2Lay
InChI InChI=1S/C10H13ClN2O3S/c1-3-12-8(15)7(6(14)5-11)9(16)13(4-2)10(12)17/h7H,3-5H2,1-2H3
InChIKey BGLOLTUSDPGOIY-UHFFFAOYSA-N
Mol Weight 276.74 g/mol
Molecular Formula C10H13ClN2O3S
Exact Mass 276.033541 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 33JM4AoCvKD
Name 5-(Chloroacetyl)-1,3-diethyl-2-thiobarbituric acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13ClN2O3S
InChI InChI=1S/C10H13ClN2O3S/c1-3-12-8(15)7(6(14)5-11)9(16)13(4-2)10(12)17/h7H,3-5H2,1-2H3
InChIKey BGLOLTUSDPGOIY-UHFFFAOYSA-N
Molecular Weight 276.738 g/mol
SMILES C1(N(C(C(C(N1CC)=O)C(=O)CCl)=O)CC)=S
SPLASH splash10-0006-9080000000-a98520368b7a214403c3
Source of Spectrum Y-38-361-5
Synonyms 5-(chloroacetyl)-1,3-diethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Wiley ID 848259