| SpectraBase Spectrum ID |
DbSk83UBZzQ |
| Name |
(E)-13-(1,3-benzodioxol-5-yl)-2-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/h10,12-15H,1-9,11,16H2,(H,21,22)/b12-10+ |
| InChIKey |
PUECNCKFFZVPCL-ZRDIBKRKSA-N |
| Molecular Weight |
332.440 g/mol |
| SMILES |
OC(\C=C\CCCCCCCCCCc1cc2c(OCO2)cc1)=O |
| SPLASH |
splash10-0019-0809000000-25fe17daba1c3b32ba10 |
| Source of Spectrum |
E1-45-693-0 |
| Synonyms |
(E)-13-(1,3-benzodioxol-5-yl)tridec-2-enoic acid |
| Wiley ID |
1553843 |
