| SpectraBase Compound ID | 42kNW4MlIVm |
|---|---|
| InChI | InChI=1S/C8H13NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H2,1H3 |
| InChIKey | RMXRUKCQJHLQFA-UHFFFAOYSA-N |
| Mol Weight | 155.2 g/mol |
| Molecular Formula | C8H13NO2 |
| Exact Mass | 155.094629 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ASlAkoaeJbk |
|---|---|
| Name | 1-Cyclohexene-1-carboxylic acid, 2-amino-, methyl ester; methyl 2-amino-1-cyclohexenecarboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 155.094628661 u |
| Formula | C8H13NO2 |
| InChI | InChI=1S/C8H13NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H2,1H3 |
| InChIKey | RMXRUKCQJHLQFA-UHFFFAOYSA-N |
| SMILES | NC1=C(CCCC1)C(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.800183 |