| SpectraBase Spectrum ID |
GjZqiQoPmaQ |
| Name |
Phthalic acid, propyl 6-ethyl-3-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.230059506 u |
| Formula |
C21H32O4 |
| InChI |
InChI=1S/C21H32O4/c1-5-15-24-20(22)18-11-9-10-12-19(18)21(23)25-17(8-4)14-13-16(6-2)7-3/h9-12,16-17H,5-8,13-15H2,1-4H3 |
| InChIKey |
AOBJCMVXMHBFJB-UHFFFAOYSA-N |
| Molecular Weight |
348.483 g/mol |
| SMILES |
C1(=CC=CC=C1C(OC(CC)CCC(CC)CC)=O)C(=O)OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948355 |
