| SpectraBase Spectrum ID |
5VjbtqPCooi |
| Name |
3,4-(Methylenedioxy)toluene |
| CAS Registry Number |
7145-99-5 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
136.052429496 u |
| Formula |
C8H8O2 |
| InChI |
InChI=1S/C8H8O2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-4H,5H2,1H3 |
| InChIKey |
GHPODDMCSOYWNE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
136.150 g/mol |
| Nominal Mass |
136 u |
| Quality |
996 |
| Retention Index |
1252 |
| SMILES |
C1=2C(=CC=C(C2)C)OCO1 |
| SPLASH |
splash10-000i-5900000000-dd01123a5e877a795275 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-Methyl-1,2-(methylenedioxy)benzene
5-methyl-1,3-benzodioxole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032170 |
