| SpectraBase Spectrum ID |
FReAXIXwApO |
| Name |
Propanedioic acid, (1,1-dimethylethyl)phenyl-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.167459249 u |
| Formula |
C17H24O4 |
| InChI |
InChI=1S/C17H24O4/c1-6-20-14(18)17(16(3,4)5,15(19)21-7-2)13-11-9-8-10-12-13/h8-12H,6-7H2,1-5H3 |
| InChIKey |
SSSYKMQFHRUBLR-UHFFFAOYSA-N |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)(C(C)(C)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959463 |
