| SpectraBase Spectrum ID |
2gk1daSJI0x |
| Name |
(12E)-13-(3',4'-Methylenedioxyphenyl)-12-tridecenoic acid |
| Alternate Name(s) |
(12E)-13-(1,3-benzodioxol-5-yl)-12-tridecenoic acid
(E)-13-(1,3-benzodioxol-5-yl)-12-tridecenoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O4 |
| InChI |
InChI=1S/C20H28O4/c21-20(22)12-10-8-6-4-2-1-3-5-7-9-11-17-13-14-18-19(15-17)24-16-23-18/h9,11,13-15H,1-8,10,12,16H2,(H,21,22)/b11-9+ |
| InChIKey |
QFGSHEDHOUPCSY-PKNBQFBNSA-N |
| Molecular Weight |
332.440 g/mol |
| SMILES |
OC(CCCCCCCCCC\C=C\c1cc2c(OCO2)cc1)=O |
| SPLASH |
splash10-0udi-0009000000-90f533e0416c005cb80e |
| Source of Spectrum |
E1-45-692-0 |
| Wiley ID |
1553743 |
