| SpectraBase Spectrum ID |
56qMFOSERAl |
| Name |
val-val, 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 |
316.199822005 u |
| Formula |
C15H28N2O5 |
| InChI |
InChI=1S/C15H28N2O5/c1-7-8-22-15(20)17-11(9(2)3)13(18)16-12(10(4)5)14(19)21-6/h9-12H,7-8H2,1-6H3,(H,16,18)(H,17,20) |
| InChIKey |
XVLSOCOCVQTLPT-UHFFFAOYSA-N |
| Molecular Weight |
316.398 g/mol |
| SMILES |
C(NC(C(=O)OC)C(C)C)(C(NC(OCCC)=O)C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856485 |
