| SpectraBase Compound ID | 4DNNyiVAoPc |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-2-8-13-9-11(12)10-6-4-3-5-7-10/h2-7H,1,8-9H2 |
| InChIKey | ATVUNSQDYMXNBZ-UHFFFAOYSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9SpySMQedtw |
|---|---|
| Name | 1-Phenyl-2-prop-2-enoxy-ethanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.083729624 u |
| Formula | C11H12O2 |
| InChI | InChI=1S/C11H12O2/c1-2-8-13-9-11(12)10-6-4-3-5-7-10/h2-7H,1,8-9H2 |
| InChIKey | ATVUNSQDYMXNBZ-UHFFFAOYSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C(=O)(C=1C=CC=CC1)COCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907988 |