| SpectraBase Compound ID | 4DmwrpAdtCW |
|---|---|
| InChI | InChI=1S/C8H14ClNO3/c1-13-8(12)6-10-7(11)4-2-3-5-9/h2-6H2,1H3,(H,10,11) |
| InChIKey | DSJFHGNKSIAIHB-UHFFFAOYSA-N |
| Mol Weight | 207.66 g/mol |
| Molecular Formula | C8H14ClNO3 |
| Exact Mass | 207.066221 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2zGxf4JFyt7 |
|---|---|
| Name | Glycine, N-(5-chlorovaleryl)-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.066221012 u |
| Formula | C8H14ClNO3 |
| InChI | InChI=1S/C8H14ClNO3/c1-13-8(12)6-10-7(11)4-2-3-5-9/h2-6H2,1H3,(H,10,11) |
| InChIKey | DSJFHGNKSIAIHB-UHFFFAOYSA-N |
| Molecular Weight | 207.657 g/mol |
| SMILES | COC(=O)CNC(CCCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961018 |