| SpectraBase Spectrum ID |
JI4sMgFiRNo |
| Name |
3,4-Methylenedioxyphenylacetic acid |
| CAS Registry Number |
2861-28-1 |
| Classification |
Designer drug precursor |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
180.042258734 u |
| Formula |
C9H8O4 |
| InChI |
InChI=1S/C9H8O4/c10-9(11)4-6-1-2-7-8(3-6)13-5-12-7/h1-3H,4-5H2,(H,10,11) |
| InChIKey |
ODVLMCWNGKLROU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
180.159 g/mol |
| Nominal Mass |
180 u |
| Quality |
924 |
| Retention Index |
1330 |
| SMILES |
OC(CC=1C=C2C(=CC1)OCO2)=O |
| SPLASH |
splash10-000i-4900000000-9437c8f2c70bf0b141bc |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,4-(Methylenedioxy)phenylacetic acid
1,3-Benzodioxol-5-ylacetic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030530 |
