| SpectraBase Spectrum ID |
4dIfOE9WAiG |
| Name |
2'-Cyano-2'-phthalimido-2-acetoxy ethyl propanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.085186173 u |
| Formula |
C16H14N2O6 |
| InChI |
InChI=1S/C16H14N2O6/c1-2-13(19)23-7-8-24-16(22)12(9-17)18-14(20)10-5-3-4-6-11(10)15(18)21/h3-6,12H,2,7-8H2,1H3 |
| InChIKey |
ZWSFIISHFMXHHC-UHFFFAOYSA-N |
| Molecular Weight |
330.296 g/mol |
| SMILES |
C1(N(C(C2=CC=CC=C12)=O)C(C(=O)OCCOC(=O)CC)C#N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898202 |
