| SpectraBase Compound ID | IUpBo0aIzon |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3/t9-/m0/s1 |
| InChIKey | LRRGYHJHSLSATF-VIFPVBQESA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4USgx4rhJgX |
|---|---|
| Name | (S)-2-(Benzyloxy)propanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.083729624 u |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3/t9-/m0/s1 |
| InChIKey | LRRGYHJHSLSATF-VIFPVBQESA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | [C@@](C=O)(OCC1=CC=CC=C1)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974876 |