| SpectraBase Spectrum ID |
5XeBSkHgWnY |
| Name |
Glutaric acid dimenthyl ester |
| 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 |
408.323959893 u |
| Formula |
C25H44O4 |
| InChI |
InChI=1S/C25H44O4/c1-16(2)20-12-10-18(5)14-22(20)28-24(26)8-7-9-25(27)29-23-15-19(6)11-13-21(23)17(3)4/h16-23H,7-15H2,1-6H3/t18-,19+,20+,21-,22-,23+ |
| InChIKey |
IVFWZYOGAYVLRF-GTWHZARSSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
408.623 g/mol |
| Nominal Mass |
408 u |
| Quality |
998 |
| Retention Index |
2622 |
| SMILES |
[C@]1([C@](C(C)C)(CC[C@](C1)(C)[H])[H])(OC(CCCC(O[C@@]1([C@@](C(C)C)(CC[C@@](C1)(C)[H])[H])[H])=O)=O)[H] |
| SPLASH |
splash10-001r-9800000000-4b440dde3c52a8cd9d9b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl (1S,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl \rpentanedioate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008017 |
