| SpectraBase Spectrum ID |
I0IxhKkehMt |
| Name |
7-Mercapto-4-methylcoumarin, S-trifluoroacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.006799745 u |
| Formula |
C12H7F3O3S |
| InChI |
InChI=1S/C12H7F3O3S/c1-6-4-10(16)18-9-5-7(2-3-8(6)9)19-11(17)12(13,14)15/h2-5H,1H3 |
| InChIKey |
QLEYZCNNBJLJDQ-UHFFFAOYSA-N |
| Molecular Weight |
288.240 g/mol |
| SMILES |
C1(SC(C(F)(F)F)=O)=CC2=C(C=C1)C(=CC(O2)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910111 |
