| SpectraBase Spectrum ID |
7fXRzpmC5UD |
| Name |
Pentanedioic acid, 2-methyl-4-[(phenylmethyl)imino]-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.162708221 u |
| Formula |
C17H23NO4 |
| InChI |
InChI=1S/C17H23NO4/c1-4-21-15(19)11-13(3)16(17(20)22-5-2)18-12-14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3/b18-16- |
| InChIKey |
XCKYUWIMNDWKPW-VLGSPTGOSA-N |
| SMILES |
C(\C(=N/CC1=CC=CC=C1)C(CC(=O)OCC)C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982947 |
![Pentanedioic acid, 2-methyl-4-[(phenylmethyl)imino]-, diethyl ester](/api/spectrum/7fXRzpmC5UD/structure.png?h=300&w=458 "Pentanedioic acid, 2-methyl-4-[(phenylmethyl)imino]-, diethyl ester")
