| SpectraBase Spectrum ID |
2kr28nl4VWK |
| Name |
2-Ethylhexyl methyl isophthalate |
| CAS Registry Number |
2135327-80-7 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
292.167459249 u |
| Formula |
C17H24O4 |
| InChI |
InChI=1S/C17H24O4/c1-4-6-8-13(5-2)12-21-17(19)15-10-7-9-14(11-15)16(18)20-3/h7,9-11,13H,4-6,8,12H2,1-3H3 |
| InChIKey |
RXCVENBIEUYYAU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
292.375 g/mol |
| Nominal Mass |
292 u |
| Quality |
996 |
| Retention Index |
2097 |
| SMILES |
C=1(C(OCC(CCCC)CC)=O)C=C(C(OC)=O)C=CC1 |
| SPLASH |
splash10-03k9-7900000000-f7932a88c00b1da85b56 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(2-ethylhexyl) 3-methyl benzene-1,3-dicarboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_029685 |
