SpectraBase Spectrum ID |
JERtrm3HK9Q |
Name |
3,4-DMMC |
CAS Registry Number |
1081772-06-6 |
Classification |
Cathinone analog designer drug |
Comments |
Spectrum verified by crosschecking against external libraries (five 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 |
191.131014170 u |
Formula |
C12H17NO |
InChI |
InChI=1S/C12H17NO/c1-8-5-6-11(7-9(8)2)12(14)10(3)13-4/h5-7,10,13H,1-4H3 |
InChIKey |
IBZRXTVDTGVBIS-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
191.274 g/mol |
Nominal Mass |
191 u |
Quality |
976 |
Retention Index |
1539 |
SMILES |
C1(C(C(NC)C)=O)=CC(=C(C=C1)C)C |
SPLASH |
splash10-0a4i-9200000000-112592e27691648fd14d |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
3',4'-Dimethyl-methcathinone
3,4-Dimethylmethcathinone
1-(3,4-Dimethylphenyl)-2-(methylamino)propan-1-one |
Technique |
GC/MS |
Wiley ID |
DD2024_030982 |