| SpectraBase Spectrum ID |
iocqLM8zIB |
| Name |
Phthalic acid, butyl dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.277009700 u |
| Formula |
C24H38O4 |
| InChI |
InChI=1S/C24H38O4/c1-3-5-7-8-9-10-11-12-13-16-20-28-24(26)22-18-15-14-17-21(22)23(25)27-19-6-4-2/h14-15,17-18H,3-13,16,19-20H2,1-2H3 |
| InChIKey |
BAZVBVCLLGYUFS-UHFFFAOYSA-N |
| Molecular Weight |
390.564 g/mol |
| SMILES |
C1(=CC=CC=C1C(OCCCCCCCCCCCC)=O)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868645 |
