| SpectraBase Compound ID | GSPsEZnJPtQ |
|---|---|
| InChI | InChI=1S/C10H12O/c1-2-9(8-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3/t9-/m1/s1 |
| InChIKey | DIBSCKQIZZVKMG-SECBINFHSA-N |
| Mol Weight | 148.2 g/mol |
| Molecular Formula | C10H12O |
| Exact Mass | 148.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BMMHBiApbQw |
|---|---|
| Name | (2S)-2-Phenylbutanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.088815005 u |
| Formula | C10H12O |
| InChI | InChI=1S/C10H12O/c1-2-9(8-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3/t9-/m1/s1 |
| InChIKey | DIBSCKQIZZVKMG-SECBINFHSA-N |
| Molecular Weight | 148.205 g/mol |
| SMILES | CC[C@](C=O)(C=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944534 |