| SpectraBase Spectrum ID |
JG4Ab5L18GO |
| Name |
Aconitic acid 2TMS |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
346.126791621 u |
| Formula |
C14H26O6Si2 |
| InChI |
InChI=1S/C14H26O6Si2/c1-8-18-14(17)11(9-12(15)19-21(2,3)4)10-13(16)20-22(5,6)7/h9H,8,10H2,1-7H3/b11-9+ |
| InChIKey |
BNWSOHLFGAHHKT-PKNBQFBNSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
346.526 g/mol |
| Nominal Mass |
346 u |
| Quality |
1000 |
| Retention Index |
2332 |
| SMILES |
C(\C=C/(CC(O[Si](C)(C)C)=O)C(OCC)=O)(O[Si](C)(C)C)=O |
| SPLASH |
splash10-0092-6951000000-320b0ecbf726ef3e03da |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
prop-1-ene-1,2,3-tricarboxylic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032754 |
