| SpectraBase Spectrum ID |
Lq0SypaRpXz |
| Name |
Di-n-octyl phthalate |
| Source of Sample |
Sigma-Aldrich Cat. #31301 |
| CAS Registry Number |
117-84-0 |
| Classification |
Pesticides |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
390.277009700 u |
| Formula |
C24H38O4 |
| InChI |
InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3 |
| InChIKey |
MQIUGAXCHLFZKX-UHFFFAOYSA-N |
| Molecular Weight |
390.564 g/mol |
| Number of Peaks |
238 |
| RI1 |
2726 |
| SMILES |
CCCCCCCCOC(=O)c1c(C(OCCCCCCCC)=O)cccc1 |
| SPLASH |
splash10-0002-4910000000-34d8a5e5d773c29b310d |
| Sample Comments |
RI1: measured on SLB-5ms (Alkanes)
RI2: measured on Equity-1 (Alkanes) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
1,2-Benzenedicarboxylic acid, 1,2-dioctyl ester |
| Wiley ID |
LM_PEST_749 |
