| SpectraBase Compound ID | 3CTbQarkOnB |
|---|---|
| InChI | InChI=1S/C10H11NO2/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h2-7H,11H2,1H3/b6-5+ |
| InChIKey | VCSGRXIKJCLEAN-AATRIKPKSA-N |
| Mol Weight | 177.2 g/mol |
| Molecular Formula | C10H11NO2 |
| Exact Mass | 177.078979 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Z7WnAAzD4R |
|---|---|
| Name | 2-Propenoic acid, 3-(3-aminophenyl)-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.078978596 u |
| Formula | C10H11NO2 |
| InChI | InChI=1S/C10H11NO2/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h2-7H,11H2,1H3/b6-5+ |
| InChIKey | VCSGRXIKJCLEAN-AATRIKPKSA-N |
| SMILES | NC=1C=C(C=CC1)\C=C\C(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.972532 |