| SpectraBase Spectrum ID |
DlBZvRSzSCr |
| Name |
L-Alanine, 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 |
221.081871076 u |
| Formula |
C9H16ClNO3 |
| InChI |
InChI=1S/C9H16ClNO3/c1-7(9(13)14-2)11-8(12)5-3-4-6-10/h7H,3-6H2,1-2H3,(H,11,12) |
| InChIKey |
XARKWCNFPJCPGN-UHFFFAOYSA-N |
| Molecular Weight |
221.684 g/mol |
| SMILES |
C(C)(C(OC)=O)NC(=O)CCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939731 |
