| SpectraBase Spectrum ID |
8cucygcQoYj |
| Name |
(E)-5-(1,3-benzodioxol-5-yl)-4-pentenoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12O4 |
| InChI |
InChI=1S/C12H12O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1,3,5-7H,2,4,8H2,(H,13,14)/b3-1+ |
| InChIKey |
LUDPKTXQYCHEOC-HNQUOIGGSA-N |
| Molecular Weight |
220.224 g/mol |
| SMILES |
OC(CC\C=C\c1cc2c(OCO2)cc1)=O |
| SPLASH |
splash10-0089-0980000000-8624229ca513f8859d09 |
| Source of Spectrum |
E1-45-691-0 |
| Synonyms |
(E)-5-(1,3-benzodioxol-5-yl)pent-4-enoic acid |
| Wiley ID |
1553760 |
