| SpectraBase Spectrum ID |
7qQojrUU5T |
| Name |
Phthalic acid, ethyl 2-ethylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.151809184 u |
| Formula |
C16H22O4 |
| InChI |
InChI=1S/C16H22O4/c1-4-12(5-2)11-20-16(18)14-10-8-7-9-13(14)15(17)19-6-3/h7-10,12H,4-6,11H2,1-3H3 |
| InChIKey |
MYEJSGPXTRGEJW-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C1=CC=CC(=C1C(=O)OCC)C(OCC(CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856335 |
