| SpectraBase Compound ID | 149vRLrsxhx |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3 |
| InChIKey | LQLOHAJUXSDIGF-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 | Lx7RO7b2uDC |
|---|---|
| Name | 2-Methylallyl benzoate |
| 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/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3 |
| InChIKey | LQLOHAJUXSDIGF-UHFFFAOYSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | CC(COC(=O)C1=CC=CC=C1)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963234 |