| SpectraBase Spectrum ID |
4Q78uqlAcOT |
| Name |
1,3-Dioxolane-4-carbothioic acid, 2-(1,1-dimethylethyl)-4-(hydroxyphenylmethyl)-, S-(1,1-dimethylethyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.170830552 u |
| Formula |
C19H28O4S |
| InChI |
InChI=1S/C19H28O4S/c1-17(2,3)16-22-12-19(23-16,15(21)24-18(4,5)6)14(20)13-10-8-7-9-11-13/h7-11,14,16,20H,12H2,1-6H3 |
| InChIKey |
NVHJJLNAFIIJKX-UHFFFAOYSA-N |
| Molecular Weight |
352.489 g/mol |
| SMILES |
C1(OC(C(C)(C)C)OC1)(C(SC(C)(C)C)=O)C(C1=CC=CC=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831226 |
