| SpectraBase Spectrum ID |
8K0bDm11xom |
| Name |
Isopentyl-3,4-methylenedioxy benzoate |
| Classification |
Designer drug side product |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
236.104858991 u |
| Formula |
C13H16O4 |
| InChI |
InChI=1S/C13H16O4/c1-9(2)5-6-15-13(14)10-3-4-11-12(7-10)17-8-16-11/h3-4,7,9H,5-6,8H2,1-2H3 |
| InChIKey |
YQVLGGFNGFAGEX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
236.267 g/mol |
| Nominal Mass |
236 u |
| Quality |
994 |
| Retention Index |
1792 |
| SMILES |
C1=2C(=CC=C(C2)C(OCCC(C)C)=O)OCO1 |
| SPLASH |
splash10-014i-6900000000-0cc1de1a5c12382a99be |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-Methylbutyl 3,4-methylenedioxy benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014918 |
