3-(Acetyloxy)-4-[3-(4-methoxyphenyl)-4,6,6-trimethyl-2-thioxohexahydro-4-pyrimidinyl]phenyl acetate

SpectraBase Compound ID	2UBsvcZ8hRX
InChI	InChI=1S/C24H28N2O5S/c1-15(27)30-19-11-12-20(21(13-19)31-16(2)28)24(5)14-23(3,4)25-22(32)26(24)17-7-9-18(29-6)10-8-17/h7-13H,14H2,1-6H3,(H,25,32)
InChIKey	XJSYCTQSZZZRNE-UHFFFAOYSA-N Google Search
Mol Weight	456.56 g/mol
Molecular Formula	C24H28N2O5S
Exact Mass	456.171893 g/mol

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SpectraBase Spectrum ID	7bVphPmvSih
Name	3-(Acetyloxy)-4-[3-(4-methoxyphenyl)-4,6,6-trimethyl-2-thioxohexahydro-4-pyrimidinyl]phenyl acetate
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	456.171893179 u
Formula	C24H28N2O5S
InChI	InChI=1S/C24H28N2O5S/c1-15(27)30-19-11-12-20(21(13-19)31-16(2)28)24(5)14-23(3,4)25-22(32)26(24)17-7-9-18(29-6)10-8-17/h7-13H,14H2,1-6H3,(H,25,32)
InChIKey	XJSYCTQSZZZRNE-UHFFFAOYSA-N
Molecular Weight	456.557 g/mol
SMILES	C1(N(C(C2=C(C=C(C=C2)OC(=O)C)OC(=O)C)(C)CC(N1)(C)C)C=1C=CC(=CC1)OC)=S
Spectrum/Structure Validation Score (Vapor Phase IR)	0.934463