| SpectraBase Spectrum ID |
A2EqgQYv1od |
| Name |
Phthalic acid, dodecyl 4-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.339609957 u |
| Formula |
C28H46O4 |
| InChI |
InChI=1S/C28H46O4/c1-4-7-9-10-11-12-13-14-15-18-23-31-27(29)25-21-16-17-22-26(25)28(30)32-24(19-6-3)20-8-5-2/h16-17,21-22,24H,4-15,18-20,23H2,1-3H3 |
| InChIKey |
NBCQPWNNYQOCBM-UHFFFAOYSA-N |
| Molecular Weight |
446.672 g/mol |
| SMILES |
C(CCC(OC(C1=C(C(OCCCCCCCCCCCC)=O)C=CC=C1)=O)CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801217 |
