| SpectraBase Spectrum ID |
Dtcvc0go5FA |
| Name |
gly-L-ala, N-Isopropyloxycarbonyl-, 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/c1-6(2)17-10(15)11-5-8(13)12-7(3)9(14)16-4/h6-7H,5H2,1-4H3,(H,11,15)(H,12,13)/t7-/m0/s1 |
| InChIKey |
NFMJANCRLKIWRU-ZETCQYMHSA-N |
| Molecular Weight |
246.263 g/mol |
| SMILES |
[C@](NC(CNC(OC(C)C)=O)=O)(C(OC)=O)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847723 |
