| SpectraBase Spectrum ID |
4f8LzKkLyGU |
| Name |
2-Butenedioic acid, 2-(1,3-benzodioxol-5-ylcarbonyl)-3-chloro-, dimethyl ester, (E)- |
| Alternate Name(s) |
Chloro-(3,4-methylenedioxybenzoyl)maleic acid dimethyl ester
dimethyl (2E)-2-(1,3-benzodioxol-5-ylcarbonyl)-3-chloro-2-butenedioate |
| CAS Registry Number |
62848-87-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H11ClO7 |
| InChI |
InChI=1S/C14H11ClO7/c1-19-13(17)10(11(15)14(18)20-2)12(16)7-3-4-8-9(5-7)22-6-21-8/h3-5H,6H2,1-2H3/b11-10+ |
| InChIKey |
ZGXMHAXOQAVQEX-ZHACJKMWSA-N |
| Molecular Weight |
326.688 g/mol |
| SMILES |
C(\C(=C\(C(c1cc2OCOc2cc1)=O)C(=O)OC)Cl)(=O)OC |
| SPLASH |
splash10-0002-0901000000-eeb7c06dc479d4c42c09 |
| Source of Spectrum |
KC-1977-150-0 |
| Wiley ID |
1324429 |
