SpectraBase Spectrum ID |
3QiKmVaD7Bx |
Name |
Methyl-3,4-methylenedioxy benzoate |
CAS Registry Number |
326-56-7 |
Classification |
Chemical |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
180.042258734 u |
Formula |
C9H8O4 |
InChI |
InChI=1S/C9H8O4/c1-11-9(10)6-2-3-7-8(4-6)13-5-12-7/h2-4H,5H2,1H3 |
InChIKey |
QCHGUEIECOASJU-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
180.159 g/mol |
Nominal Mass |
180 u |
Quality |
984 |
Retention Index |
1416 |
SMILES |
C1=2C(=CC=C(C2)C(OC)=O)OCO1 |
SPLASH |
splash10-01pk-8900000000-a23a4bf236a89c26906a |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1,3-Benzodioxole-5-carboxylicacid,methyl ester
3,4-Methylenedioxybenzoate,methyl
methyl 1,3-benzodioxole-5-carboxylate |
Technique |
GC/MS |
Wiley ID |
DD2024_010385 |