| SpectraBase Spectrum ID |
KoduSTIXaIl |
| Name |
3,4-Dihydro-2H-1,5-benzodioxepine-7-thiol, S-trimethylacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.097665611 u |
| Formula |
C14H18O3S |
| InChI |
InChI=1S/C14H18O3S/c1-14(2,3)13(15)18-10-5-6-11-12(9-10)17-8-4-7-16-11/h5-6,9H,4,7-8H2,1-3H3 |
| InChIKey |
OYBZODXAFWVGGV-UHFFFAOYSA-N |
| Molecular Weight |
266.355 g/mol |
| SMILES |
C1(SC(C(C)(C)C)=O)=CC2=C(C=C1)OCCCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80117 |
