| SpectraBase Spectrum ID |
HhORHZcUhDU |
| Name |
Phthalic acid, dodecyl hept-2-yl 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/c1-4-6-8-9-10-11-12-13-14-18-22-30-26(28)24-20-16-17-21-25(24)27(29)31-23(3)19-15-7-5-2/h16-17,20-21,23H,4-15,18-19,22H2,1-3H3 |
| InChIKey |
IUKREYMIVSMIEF-UHFFFAOYSA-N |
| Molecular Weight |
432.645 g/mol |
| SMILES |
C1=CC(=C(C=C1)C(OC(C)CCCCC)=O)C(OCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929911 |
