| SpectraBase Spectrum ID |
2DiKmaGyFHD |
| Name |
Phthalic acid, hexadecyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.355260022 u |
| Formula |
C29H48O4 |
| InChI |
InChI=1S/C29H48O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-25-33-29(31)27-23-19-18-22-26(27)28(30)32-24-20-6-4-2/h18-19,22-23H,3-17,20-21,24-25H2,1-2H3 |
| InChIKey |
SDQXTGWTLIEIGT-UHFFFAOYSA-N |
| Molecular Weight |
460.699 g/mol |
| SMILES |
C1(=CC=CC=C1C(OCCCCCCCCCCCCCCCC)=O)C(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816846 |
