| SpectraBase Spectrum ID |
8UOOETvLsUp |
| Name |
Isophthalic acid, 4-methylpent-2-yl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.198759378 u |
| Formula |
C19H28O4 |
| InChI |
InChI=1S/C19H28O4/c1-5-6-7-11-22-18(20)16-9-8-10-17(13-16)19(21)23-15(4)12-14(2)3/h8-10,13-15H,5-7,11-12H2,1-4H3 |
| InChIKey |
SSPFRQQNKHRUAI-UHFFFAOYSA-N |
| Molecular Weight |
320.429 g/mol |
| SMILES |
C1=CC(=CC(=C1)C(=O)OCCCCC)C(OC(CC(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947615 |
