| SpectraBase Spectrum ID |
CjF8odDv6Bv |
| Name |
Pyrimidin-2(1H)-thione, 3,4,5,6-tetrahydro-4,6,6-trimethyl-4-(2,4-diacetoxyphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.130028366 u |
| 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 |
C1(NC(=S)NC(C1)(C)C)(C1=C(C=C(OC(C)=O)C=C1)OC(C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89602 |
