| SpectraBase Spectrum ID |
HIA93XXwDaQ |
| Name |
Phthalate |
| Source of Sample |
Sigma-Aldrich Cat. #152641 |
| CAS Registry Number |
84-69-5 |
| Classification |
Pesticides: Insecticides, Repellents |
| 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 |
278.151809184 u |
| Formula |
C16H22O4 |
| InChI |
InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3 |
| InChIKey |
MGWAVDBGNNKXQV-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| Number of Peaks |
50 |
| RI1 |
1858 |
| SMILES |
CC(COC(=O)c1c(C(OCC(C)C)=O)cccc1)C |
| SPLASH |
splash10-0002-5900000000-aca001bfc86bdb784506 |
| 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, bis(2-methylpropyl) ester |
| Wiley ID |
LM_PEST_1296 |
