| SpectraBase Spectrum ID |
JIspZGbwnxo |
| Name |
1-(3,4-Methylenedioxyphenyl)butan-2-one |
| CAS Registry Number |
23023-13-4 |
| Classification |
Designer drug precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
192.078644243 u |
| Formula |
C11H12O3 |
| InChI |
InChI=1S/C11H12O3/c1-2-9(12)5-8-3-4-10-11(6-8)14-7-13-10/h3-4,6H,2,5,7H2,1H3 |
| InChIKey |
SWKXHWCUDGJLNA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
192.214 g/mol |
| Nominal Mass |
192 u |
| Quality |
976 |
| Retention Index |
1429 |
| SMILES |
C1=2C(=CC=C(C2)CC(CC)=O)OCO1 |
| SPLASH |
splash10-000i-2900000000-aa03edee637d5695c344 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(1,3-Benzodioxol-5-yl)-2-butanone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018549 |
