| SpectraBase Spectrum ID |
JMxc6DHQLsS |
| Name |
Phthalic acid, 4-methylpent-2-yl octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.245709571 u |
| Formula |
C22H34O4 |
| InChI |
InChI=1S/C22H34O4/c1-5-6-7-8-9-12-15-25-21(23)19-13-10-11-14-20(19)22(24)26-18(4)16-17(2)3/h10-11,13-14,17-18H,5-9,12,15-16H2,1-4H3 |
| InChIKey |
ZVNGLVFWAOBRTI-UHFFFAOYSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C1=CC=CC(=C1C(OCCCCCCCC)=O)C(OC(C)CC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849978 |
