| SpectraBase Spectrum ID |
I3itG0758t6 |
| Name |
Phthalic acid, 4,4-dimethylpent-2-yl dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.323959893 u |
| Formula |
C27H44O4 |
| InChI |
InChI=1S/C27H44O4/c1-6-7-8-9-10-11-12-13-14-17-20-30-25(28)23-18-15-16-19-24(23)26(29)31-22(2)21-27(3,4)5/h15-16,18-19,22H,6-14,17,20-21H2,1-5H3 |
| InChIKey |
MYPJNTBYKOEXPJ-UHFFFAOYSA-N |
| Molecular Weight |
432.645 g/mol |
| SMILES |
C1=CC=CC(=C1C(OCCCCCCCCCCCC)=O)C(OC(C)CC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832318 |
