| SpectraBase Compound ID | 7Dq3P215LVK |
|---|---|
| InChI | InChI=1S/C10H10O3/c1-8(7-11)13-10(12)9-5-3-2-4-6-9/h2-8H,1H3/t8-/m1/s1 |
| InChIKey | SWHRJUVDIWCBHN-MRVPVSSYSA-N |
| Mol Weight | 178.19 g/mol |
| Molecular Formula | C10H10O3 |
| Exact Mass | 178.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GwlqgJrBqEF |
|---|---|
| Name | Propanal, 2-(benzoyloxy)-, (R)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.062994179 u |
| Formula | C10H10O3 |
| InChI | InChI=1S/C10H10O3/c1-8(7-11)13-10(12)9-5-3-2-4-6-9/h2-8H,1H3/t8-/m1/s1 |
| InChIKey | SWHRJUVDIWCBHN-MRVPVSSYSA-N |
| Molecular Weight | 178.187 g/mol |
| SMILES | C(=O)(C1=CC=CC=C1)O[C@](C)(C=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977207 |