| SpectraBase Spectrum ID |
DQcKefFYM2p |
| Name |
3-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-4-oxidanylidene-butanoic acid |
| Alternate Name(s) |
3-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-4-oxo-butanoic acid
4-keto-4-methoxy-3-piperonyl-butyric acid |
| CAS Registry Number |
96548-65-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14O6 |
| InChI |
InChI=1S/C13H14O6/c1-17-13(16)9(6-12(14)15)4-8-2-3-10-11(5-8)19-7-18-10/h2-3,5,9H,4,6-7H2,1H3,(H,14,15) |
| InChIKey |
FFMSTQGYTSQYCT-UHFFFAOYSA-N |
| Molecular Weight |
266.249 g/mol |
| SMILES |
OC(CC(C(=O)OC)Cc1cc2OCOc2cc1)=O |
| SPLASH |
splash10-000i-1940000000-8423d0664479dc827876 |
| Source of Spectrum |
B-41-912-8 |
| Wiley ID |
1269687 |
