| SpectraBase Spectrum ID |
FHQQJh0x0uz |
| Name |
3,4-Methylenedioxy-6-(3',4',5'-trimethoxybenzoyl)phenylacetic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H18O8 |
| InChI |
InChI=1S/C19H18O8/c1-23-15-5-11(6-16(24-2)19(15)25-3)18(22)12-8-14-13(26-9-27-14)4-10(12)7-17(20)21/h4-6,8H,7,9H2,1-3H3,(H,20,21) |
| InChIKey |
HLMKHSVQTXMGLQ-UHFFFAOYSA-N |
| Molecular Weight |
374.345 g/mol |
| SMILES |
OC(Cc1c(C(c2cc(OC)c(c(c2)OC)OC)=O)cc2c(OCO2)c1)=O |
| SPLASH |
splash10-0002-0094000000-a50d15131a2ae0036ccb |
| Source of Spectrum |
KC-0-2536-15 |
| Synonyms |
[6-(3,4,5-trimethoxybenzoyl)-1,3-benzodioxol-5-yl]acetic acid
2-[6-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-yl]acetic acid
2-[6-(3,4,5-trimethoxyphenyl)carbonyl-1,3-benzodioxol-5-yl]ethanoic acid |
| Wiley ID |
780038 |
