| SpectraBase Spectrum ID |
6Bx256a9fBj |
| Name |
gly-L-ala, N-(N-Propyloxycarbonyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.121571683 u |
| Formula |
C10H18N2O5 |
| InChI |
InChI=1S/C10H18N2O5/c1-4-5-17-10(15)11-6-8(13)12-7(2)9(14)16-3/h7H,4-6H2,1-3H3,(H,11,15)(H,12,13)/t7-/m0/s1 |
| InChIKey |
HSINQZMFDBRHEN-ZETCQYMHSA-N |
| Molecular Weight |
246.263 g/mol |
| SMILES |
[C@](NC(CNC(OCCC)=O)=O)(C(OC)=O)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839396 |
