| SpectraBase Spectrum ID |
FVFmK7AmRNL |
| Name |
1-Cyano-1-methylpropanetricarboxylic acid 1-(isopropyl ester) 2,3-bis(methyl ester) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
285.121237330 u |
| Formula |
C13H19NO6 |
| InChI |
InChI=1S/C13H19NO6/c1-8(2)20-12(17)13(3,7-14)9(11(16)19-5)6-10(15)18-4/h8-9H,6H2,1-5H3 |
| InChIKey |
DEXDQFJLJRPJEV-UHFFFAOYSA-N |
| SMILES |
C(C(OC(C)C)=O)(C(C(=O)OC)CC(=O)OC)(C#N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933351 |
