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3-(Acetyloxy)-4-(4,6,6-trimethyl-2-thioxohexahydro-4-pyrimidinyl)phenyl acetate
SpectraBase Compound ID CtQmcPmfbNp
InChI InChI=1S/C17H22N2O4S/c1-10(20)22-12-6-7-13(14(8-12)23-11(2)21)17(5)9-16(3,4)18-15(24)19-17/h6-8H,9H2,1-5H3,(H2,18,19,24)
InChIKey VRBHUQRIIFZWGJ-UHFFFAOYSA-N
Mol Weight 350.43 g/mol
Molecular Formula C17H22N2O4S
Exact Mass 350.130028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHlGGXFDVyB
Name 3-(Acetyloxy)-4-(4,6,6-trimethyl-2-thioxohexahydro-4-pyrimidinyl)phenyl acetate
CAS Registry Number 294874-61-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O4S
InChI InChI=1S/C17H22N2O4S/c1-10(20)22-12-6-7-13(14(8-12)23-11(2)21)17(5)9-16(3,4)18-15(24)19-17/h6-8H,9H2,1-5H3,(H2,18,19,24)
InChIKey VRBHUQRIIFZWGJ-UHFFFAOYSA-N
Molecular Weight 350.433 g/mol
SMILES N1C(CC(NC1=S)(C)C)(c1c(cc(cc1)OC(=O)C)OC(=O)C)C
SPLASH splash10-0006-9711000000-42010e18902be9fba860
Source of Spectrum AD-0-2532-0
Synonyms Pyrimidin-2(1H)-thione, 3,4,5,6-tetrahydro-4,6,6-trimethyl-4-(2,4-diacetoxyphenyl)- Acetic acid [3-acetyloxy-4-(4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl)phenyl] ester [3-acetyloxy-4-(4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl)phenyl] acetate [3-acetoxy-4-(4,6,6-trimethyl-2-thioxo-hexahydropyrimidin-4-yl)phenyl] acetate [3-acetyloxy-4-(4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl)phenyl] ethanoate
Wiley ID 1420283