SpectraBase Spectrum ID |
5rtafIne5u5 |
Name |
Valine, N-methyl-N-(2-methoxyethoxycarbonyl)-, 2-methoxyethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
291.168187523 u |
Formula |
C13H25NO6 |
InChI |
InChI=1S/C13H25NO6/c1-10(2)11(12(15)19-8-6-17-4)14(3)13(16)20-9-7-18-5/h10-11H,6-9H2,1-5H3 |
InChIKey |
KCMIWSJFFBJSPZ-UHFFFAOYSA-N |
SMILES |
COCCOC(N(C(C(C)C)C(OCCOC)=O)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959191 |