| SpectraBase Compound ID | Lmi8H8s87Ju |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-2-10-5-7-12(8-6-10)13(14)15-9-11-3-4-11/h5-8,11H,2-4,9H2,1H3 |
| InChIKey | AGMOMHBXSRFOFR-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J0bTt1b7XgG |
|---|---|
| Name | Cyclopropylmethyl 4-ethyl benzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.115029753 u |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c1-2-10-5-7-12(8-6-10)13(14)15-9-11-3-4-11/h5-8,11H,2-4,9H2,1H3 |
| InChIKey | AGMOMHBXSRFOFR-UHFFFAOYSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C1(C(OCC2CC2)=O)=CC=C(C=C1)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922403 |