| SpectraBase Spectrum ID |
5TDrqicYi |
| Name |
7-(3',4'-Methylenedioxyphenyl)-6-E-heptenoic acid |
| Alternate Name(s) |
(6E)-7-(3',4'-Methylenedioxyphenyl)-6-heptenoic acid
(6E)-7-(1,3-benzodioxol-5-yl)-6-heptenoic acid
(E)-7-(1,3-benzodioxol-5-yl)-6-heptenoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H16O4 |
| InChI |
InChI=1S/C14H16O4/c15-14(16)6-4-2-1-3-5-11-7-8-12-13(9-11)18-10-17-12/h3,5,7-9H,1-2,4,6,10H2,(H,15,16)/b5-3+ |
| InChIKey |
RNNKGYSBTAQFFE-HWKANZROSA-N |
| Molecular Weight |
248.278 g/mol |
| SMILES |
OC(CCCC\C=C\c1cc2c(OCO2)cc1)=O |
| SPLASH |
splash10-001j-0980000000-e969d43f05426887df84 |
| Source of Spectrum |
E1-45-692-0 |
| Wiley ID |
1553744 |
