| SpectraBase Spectrum ID |
KMZew9SNcZE |
| Name |
7-Mercapto-4-methylcoumarin, S-trimethylacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.082015546 u |
| Formula |
C15H16O3S |
| InChI |
InChI=1S/C15H16O3S/c1-9-7-13(16)18-12-8-10(5-6-11(9)12)19-14(17)15(2,3)4/h5-8H,1-4H3 |
| InChIKey |
DGDXALLCTUPUBQ-UHFFFAOYSA-N |
| Molecular Weight |
276.350 g/mol |
| SMILES |
C1(SC(C(C)(C)C)=O)=CC2=C(C=C1)C(=CC(O2)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924176 |
