| SpectraBase Spectrum ID |
3OWyjQwLLWV |
| Name |
Phthalic acid, 4-methylpent-2-yl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.261359635 u |
| Formula |
C23H36O4 |
| InChI |
InChI=1S/C23H36O4/c1-5-6-7-8-9-10-13-16-26-22(24)20-14-11-12-15-21(20)23(25)27-19(4)17-18(2)3/h11-12,14-15,18-19H,5-10,13,16-17H2,1-4H3 |
| InChIKey |
WXRHSENXOVKNBY-UHFFFAOYSA-N |
| Molecular Weight |
376.537 g/mol |
| SMILES |
C1=CC=CC(=C1C(OCCCCCCCCC)=O)C(OC(C)CC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844022 |
