| SpectraBase Spectrum ID |
L7QMKvtSeQb |
| Name |
1,3-Butadiene-1,2,4-tricarboxylic acid, 4-chloro-, trimethyl ester, (E,E)- |
| Alternate Name(s) |
Trimethyl (1E,3E)-4-chloro-1,3-butadiene-1,2,4-tricarboxylate |
| CAS Registry Number |
81158-28-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H11ClO6 |
| InChI |
InChI=1S/C10H11ClO6/c1-15-8(12)5-6(9(13)16-2)4-7(11)10(14)17-3/h4-5H,1-3H3/b6-5+,7-4+ |
| InChIKey |
UBFPUWUAWLACTC-HVUXDCMCSA-N |
| Molecular Weight |
262.645 g/mol |
| SMILES |
C(\C(=C/C(=C\C(=O)OC)C(=O)OC)Cl)(=O)OC |
| SPLASH |
splash10-004i-0090000000-4b6c299666162cd0bb41 |
| Source of Spectrum |
J-47-2017-0 |
| Wiley ID |
1265228 |
