| SpectraBase Spectrum ID |
KrItxxY14VG |
| Name |
val-val, N-Ethoxycarbonyl-, methyl ester (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.184171940 u |
| Formula |
C14H26N2O5 |
| InChI |
InChI=1S/C14H26N2O5/c1-7-21-14(19)16-10(8(2)3)12(17)15-11(9(4)5)13(18)20-6/h8-11H,7H2,1-6H3,(H,15,17)(H,16,19) |
| InChIKey |
PRBORIMARWRXAE-UHFFFAOYSA-N |
| Molecular Weight |
302.371 g/mol |
| SMILES |
C(C(C(NC(C(C)C)C(OC)=O)=O)NC(OCC)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861765 |
