| SpectraBase Spectrum ID |
793qsnMko7S |
| Name |
Phthalic acid, heptyl 6-methylhept-2-yl 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/c1-5-6-7-8-11-17-26-22(24)20-15-9-10-16-21(20)23(25)27-19(4)14-12-13-18(2)3/h9-10,15-16,18-19H,5-8,11-14,17H2,1-4H3 |
| InChIKey |
IYWFDZFPTVMRFI-UHFFFAOYSA-N |
| Molecular Weight |
376.537 g/mol |
| SMILES |
C(C1=CC=CC=C1C(OC(C)CCCC(C)C)=O)(OCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937941 |
