| SpectraBase Spectrum ID |
JIpPG9cQJuq |
| Name |
1,3-Benzenedicarboxylicacid,bis(2-ethylhexyl) ester |
| CAS Registry Number |
137-89-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
390.277009700 u |
| Formula |
C24H38O4 |
| InChI |
InChI=1S/C24H38O4/c1-5-9-12-19(7-3)17-27-23(25)21-14-11-15-22(16-21)24(26)28-18-20(8-4)13-10-6-2/h11,14-16,19-20H,5-10,12-13,17-18H2,1-4H3 |
| InChIKey |
WXZOXVVKILCOPG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
390.564 g/mol |
| Nominal Mass |
390 u |
| Quality |
959 |
| Retention Index |
2790 |
| SMILES |
C1(C(OCC(CCCC)CC)=O)=CC(C(OCC(CCCC)CC)=O)=CC=C1 |
| SPLASH |
splash10-03k9-8930000000-3cdea295909fe065253b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
bis(2-ethylhexyl)benzene-1,3-dicarboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030565 |
