| SpectraBase Compound ID | 6VoOo7W8vVg |
|---|---|
| InChI | InChI=1S/C14H14O3S/c1-8(2)14(16)18-10-4-5-11-9(3)6-13(15)17-12(11)7-10/h4-8H,1-3H3 |
| InChIKey | OVGLSFNWLOTJEF-UHFFFAOYSA-N |
| Mol Weight | 262.32 g/mol |
| Molecular Formula | C14H14O3S |
| Exact Mass | 262.066365 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EzFKONPZX8z |
|---|---|
| Name | 7-Mercapto-4-methylcoumarin, S-(2-methylpropionyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.066365482 u |
| Formula | C14H14O3S |
| InChI | InChI=1S/C14H14O3S/c1-8(2)14(16)18-10-4-5-11-9(3)6-13(15)17-12(11)7-10/h4-8H,1-3H3 |
| InChIKey | OVGLSFNWLOTJEF-UHFFFAOYSA-N |
| SMILES | C1(SC(C(C)C)=O)=CC2=C(C=C1)C(=CC(O2)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914568 |