| SpectraBase Compound ID | BVMesjJQ2ro |
|---|---|
| InChI | InChI=1S/C10H13NO2/c1-7(2)13-10(12)8-4-3-5-9(11)6-8/h3-7H,11H2,1-2H3 |
| InChIKey | OLNWTCOHKOKNJU-UHFFFAOYSA-N |
| Mol Weight | 179.22 g/mol |
| Molecular Formula | C10H13NO2 |
| Exact Mass | 179.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9EKOJDIyXnE |
|---|---|
| Name | Benzoic acid, 3-amino-, isopropyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.094628661 u |
| Formula | C10H13NO2 |
| InChI | InChI=1S/C10H13NO2/c1-7(2)13-10(12)8-4-3-5-9(11)6-8/h3-7H,11H2,1-2H3 |
| InChIKey | OLNWTCOHKOKNJU-UHFFFAOYSA-N |
| Molecular Weight | 179.219 g/mol |
| SMILES | C1=C(C=CC=C1C(OC(C)C)=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926274 |