| SpectraBase Spectrum ID |
FihHJar5w4p |
| Name |
Phthalic acid, hept-2-yl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.308309828 u |
| Formula |
C26H42O4 |
| InChI |
InChI=1S/C26H42O4/c1-4-6-8-9-10-11-12-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22(3)18-14-7-5-2/h15-16,19-20,22H,4-14,17-18,21H2,1-3H3 |
| InChIKey |
AXOKQKDAHUMXGW-UHFFFAOYSA-N |
| Molecular Weight |
418.618 g/mol |
| SMILES |
C1=CC(=C(C=C1)C(OC(C)CCCCC)=O)C(OCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939683 |
