| SpectraBase Compound ID | AXwYE5avWaC |
|---|---|
| InChI | InChI=1S/C14H21NO2/c1-2-3-4-5-8-11-17-14(16)12-9-6-7-10-13(12)15/h6-7,9-10H,2-5,8,11,15H2,1H3 |
| InChIKey | ZQISIIMREGXNOS-UHFFFAOYSA-N |
| Mol Weight | 235.33 g/mol |
| Molecular Formula | C14H21NO2 |
| Exact Mass | 235.157229 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | J63MscSnioa |
|---|---|
| Name | Anthranilic acid, heptyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.157228918 u |
| Formula | C14H21NO2 |
| InChI | InChI=1S/C14H21NO2/c1-2-3-4-5-8-11-17-14(16)12-9-6-7-10-13(12)15/h6-7,9-10H,2-5,8,11,15H2,1H3 |
| InChIKey | ZQISIIMREGXNOS-UHFFFAOYSA-N |
| Molecular Weight | 235.327 g/mol |
| SMILES | NC=1C(=CC=CC1)C(OCCCCCCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.96175 |