| SpectraBase Spectrum ID |
KfLC0AEMDpR |
| Name |
Phthalic acid, 5-methylhex-2-yl hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
488.386560150 u |
| Formula |
C31H52O4 |
| InChI |
InChI=1S/C31H52O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-34-30(32)28-21-18-19-22-29(28)31(33)35-27(4)24-23-26(2)3/h18-19,21-22,26-27H,5-17,20,23-25H2,1-4H3 |
| InChIKey |
IEVNEDPWPAMAJS-UHFFFAOYSA-N |
| Molecular Weight |
488.753 g/mol |
| SMILES |
C1=CC=CC(=C1C(OCCCCCCCCCCCCCCCC)=O)C(OC(C)CCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833651 |
