| SpectraBase Compound ID | J3AnktBGox |
|---|---|
| InChI | InChI=1S/C7H13NO2/c9-7(10)6-4-2-1-3-5-8-6/h6,8H,1-5H2,(H,9,10) |
| InChIKey | OPFURXRZISKMJV-UHFFFAOYSA-N |
| Mol Weight | 143.19 g/mol |
| Molecular Formula | C7H13NO2 |
| Exact Mass | 143.094629 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4d7ZXW72kti |
|---|---|
| Name | Hexahydro-1H-azepine-2-carboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 143.094628661 u |
| Formula | C7H13NO2 |
| InChI | InChI=1S/C7H13NO2/c9-7(10)6-4-2-1-3-5-8-6/h6,8H,1-5H2,(H,9,10) |
| InChIKey | OPFURXRZISKMJV-UHFFFAOYSA-N |
| Molecular Weight | 143.186 g/mol |
| SMILES | N1C(C(O)=O)CCCCC1 |
| Spectrum/Structure Validation Score (Raman) | 0.957643 |