| SpectraBase Compound ID | 3ZLtllIb25T |
|---|---|
| InChI | InChI=1S/C14H14O2/c1-2-16-14(15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3 |
| InChIKey | XIDPSKQLXKCVQN-UHFFFAOYSA-N |
| Mol Weight | 214.26 g/mol |
| Molecular Formula | C14H14O2 |
| Exact Mass | 214.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2mydVKgkK0e |
|---|---|
| Name | 1-Naphthaleneacetic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.099379689 u |
| Formula | C14H14O2 |
| InChI | InChI=1S/C14H14O2/c1-2-16-14(15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3 |
| InChIKey | XIDPSKQLXKCVQN-UHFFFAOYSA-N |
| Molecular Weight | 214.264 g/mol |
| SMILES | C=12C=CC=CC1C=CC=C2CC(=O)OCC |
| Spectrum/Structure Validation Score (Raman) | 0.914035 |