| SpectraBase Compound ID | FIpd7GrOmpU |
|---|---|
| InChI | InChI=1S/C9H11NO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8H,10H2,1H3 |
| InChIKey | BHFLUDRTVIDDOR-UHFFFAOYSA-N |
| Mol Weight | 165.19 g/mol |
| Molecular Formula | C9H11NO2 |
| Exact Mass | 165.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F2Y26718rV7 |
|---|---|
| Name | Benzeneacetic acid, .alpha.-amino-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.078978596 u |
| Formula | C9H11NO2 |
| InChI | InChI=1S/C9H11NO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8H,10H2,1H3 |
| InChIKey | BHFLUDRTVIDDOR-UHFFFAOYSA-N |
| Molecular Weight | 165.192 g/mol |
| SMILES | C(C(N)C1=CC=CC=C1)(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.818501 |