| SpectraBase Compound ID | 67WxdLRYKq0 |
|---|---|
| InChI | InChI=1S/C11H12O2/c12-11(13-8-9-6-7-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2 |
| InChIKey | JTHAROHXNNFUDV-UHFFFAOYSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KtZArizFIDR |
|---|---|
| Name | Benzoic acid cyclopropylmethyl ester |
| 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/c12-11(13-8-9-6-7-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2 |
| InChIKey | JTHAROHXNNFUDV-UHFFFAOYSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C(OCC1CC1)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.861117 |