| SpectraBase Spectrum ID |
E7XZsWspZx7 |
| Name |
Butanedioic acid, methylene-, dimethyl ester (D1) |
| Alternate Name(s) |
Itaconic acid dimethyl ester (D1)
2-Methylenebutanedioic acid dimethyl ester (D1)
Dimethyl 2-methylenesuccinate (D1) |
| CAS Registry Number |
617-52-7 |
| Comments |
Note: The molecular formula of the structure shown is C7H10O4 - which differs from the formula reported for the mass spectrum (C7H9DO4) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H9DO4 |
| InChI |
InChI=1S/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h1,4H2,2-3H3 |
| InChIKey |
ZWWQRMFIZFPUAA-UHFFFAOYSA-N |
| Molecular Weight |
158.153 g/mol |
| SMILES |
COC(=O)CC(C(=O)OC)=C |
| SPLASH |
splash10-0a6u-9400000000-533108207bce7d2e12ac |
| Wiley ID |
1481727 |
