| SpectraBase Spectrum ID |
vgNYrSsVES |
| Name |
3,4-Methylenedioxybenzoic acid |
| CAS Registry Number |
94-53-1 |
| Classification |
Designer drug precursor |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
166.026608669 u |
| Formula |
C8H6O4 |
| InChI |
InChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10) |
| InChIKey |
VDVJGIYXDVPQLP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
166.132 g/mol |
| Nominal Mass |
166 u |
| Quality |
991 |
| Retention Index |
1533 |
| SMILES |
OC(C=1C=C2C(=CC1)OCO2)=O |
| SPLASH |
splash10-014i-7900000000-048ca977a693f0dfbb8e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,3-benzodioxole-5-carboxylic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010357 |
