| SpectraBase Spectrum ID |
5rkZcjVMGZl |
| Name |
Phthalic acid, 8-chlorooctyl dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
480.300637625 u |
| Formula |
C28H45ClO4 |
| InChI |
InChI=1S/C28H45ClO4/c1-2-3-4-5-6-7-8-10-13-18-23-32-27(30)25-20-15-16-21-26(25)28(31)33-24-19-14-11-9-12-17-22-29/h15-16,20-21H,2-14,17-19,22-24H2,1H3 |
| InChIKey |
HNLXZGCHJULIFA-UHFFFAOYSA-N |
| Molecular Weight |
481.117 g/mol |
| SMILES |
C1=CC=CC(=C1C(OCCCCCCCCCCCC)=O)C(OCCCCCCCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880631 |
