| SpectraBase Compound ID | HSb1pRYXNss |
|---|---|
| InChI | InChI=1S/C16H12O2S/c17-14-7-3-1-6-13(14)16(18)12-9-10-19-15-8-4-2-5-11(12)15/h1-9,17H,10H2 |
| InChIKey | AECSAQDTRXPSSU-UHFFFAOYSA-N |
| Mol Weight | 268.33 g/mol |
| Molecular Formula | C16H12O2S |
| Exact Mass | 268.055801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DquV3F9nWUM |
|---|---|
| Name | 4-(Ortho-hydroxybenzoyl)-2H-thiocromene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.055800798 u |
| Formula | C16H12O2S |
| InChI | InChI=1S/C16H12O2S/c17-14-7-3-1-6-13(14)16(18)12-9-10-19-15-8-4-2-5-11(12)15/h1-9,17H,10H2 |
| InChIKey | AECSAQDTRXPSSU-UHFFFAOYSA-N |
| SMILES | C(=O)(C=1C=2C=CC=CC2SCC1)C1=CC=CC=C1O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933944 |