| SpectraBase Spectrum ID |
IIvMrCv6jPI |
| Name |
Phthalic acid, decyl 4-octyl 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/c1-4-7-9-10-11-12-13-16-21-29-25(27)23-19-14-15-20-24(23)26(28)30-22(17-6-3)18-8-5-2/h14-15,19-20,22H,4-13,16-18,21H2,1-3H3 |
| InChIKey |
PANZFJMDXDTTQD-UHFFFAOYSA-N |
| Molecular Weight |
418.618 g/mol |
| SMILES |
CCCCCCCCCCOC(C1=C(C=CC=C1)C(OC(CCCC)CCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895616 |
