| SpectraBase Spectrum ID |
sKN5IFlwM7 |
| Name |
Phthalic acid, hept-2-yl tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.355260022 u |
| Formula |
C29H48O4 |
| InChI |
InChI=1S/C29H48O4/c1-4-6-8-9-10-11-12-13-14-15-16-20-24-32-28(30)26-22-18-19-23-27(26)29(31)33-25(3)21-17-7-5-2/h18-19,22-23,25H,4-17,20-21,24H2,1-3H3 |
| InChIKey |
LZKOSKNNNNMMJZ-UHFFFAOYSA-N |
| Molecular Weight |
460.699 g/mol |
| SMILES |
C1=CC(=C(C=C1)C(OC(C)CCCCC)=O)C(OCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88867 |
