| SpectraBase Compound ID | 1ZeP2MjhCJ9 |
|---|---|
| InChI | InChI=1S/C9H17NO2/c1-12-9(11)7-10-8-5-3-2-4-6-8/h8,10H,2-7H2,1H3 |
| InChIKey | AGQPELVTVMBVBI-UHFFFAOYSA-N |
| Mol Weight | 171.24 g/mol |
| Molecular Formula | C9H17NO2 |
| Exact Mass | 171.125929 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Bvzr21KwSle |
|---|---|
| Name | (Cyclohexylamino)acetic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.125928789 u |
| Formula | C9H17NO2 |
| InChI | InChI=1S/C9H17NO2/c1-12-9(11)7-10-8-5-3-2-4-6-8/h8,10H,2-7H2,1H3 |
| InChIKey | AGQPELVTVMBVBI-UHFFFAOYSA-N |
| Molecular Weight | 171.240 g/mol |
| SMILES | C1(NCC(=O)OC)CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.886161 |