| SpectraBase Spectrum ID |
39IPrZnlyAV |
| Name |
Phthalic acid, hexadecyl 6-methylhept-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
502.402210215 u |
| Formula |
C32H54O4 |
| InChI |
InChI=1S/C32H54O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-35-31(33)29-24-18-19-25-30(29)32(34)36-28(4)23-21-22-27(2)3/h18-19,24-25,27-28H,5-17,20-23,26H2,1-4H3 |
| InChIKey |
NWNMFXJGGKIFGV-UHFFFAOYSA-N |
| Molecular Weight |
502.780 g/mol |
| SMILES |
C(C1=CC=CC=C1C(OC(C)CCCC(C)C)=O)(OCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879812 |
