| SpectraBase Spectrum ID |
CbIbntkipAU |
| Name |
3-Methyl (E)-pent-3-ene-1,1,3-tricarboxylate |
| Comments |
Note: The molecular formula of the structure shown is C9H10O6 - which differs from the formula reported for the mass spectrum (C23H24O6) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H24O6 |
| InChI |
InChI=1S/C9H12O6/c1-3-5(9(14)15-2)4-6(7(10)11)8(12)13/h3,6H,4H2,1-2H3,(H,10,11)(H,12,13)/p-2/b5-3+ |
| InChIKey |
LIJHLVHLTWGQBM-HWKANZROSA-L |
| Molecular Weight |
214.173 g/mol |
| SMILES |
C(C\C(=C/C)C(=O)OC)(C(=O)[O-])C(=O)[O-] |
| SPLASH |
splash10-0006-9000000000-f6409d885629f31ee436 |
| Source of Spectrum |
JA-49-839-0 |
| Wiley ID |
1367518 |
