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MAB-CHMINACA

View entire compound with spectra: 3 FTIR, 1 Raman, and 7 MS (GC)

MAB-CHMINACA
SpectraBase Compound ID C8uCyrFK61m
InChI InChI=1S/C21H30N4O2/c1-21(2,3)18(19(22)26)23-20(27)17-15-11-7-8-12-16(15)25(24-17)13-14-9-5-4-6-10-14/h7-8,11-12,14,18H,4-6,9-10,13H2,1-3H3,(H2,22,26)(H,23,27)
InChIKey ZWCCSIUBHCZKOY-UHFFFAOYSA-N
Mol Weight 370.5 g/mol
Molecular Formula C21H30N4O2
Exact Mass 370.236876 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 1g0oc6CJcbM
Name MAB-CHMINACA
Source of Sample Cayman Chemical Company
Catalog Number 16616
Lot Number 0468786-4
Accessory DurasamplIR II
CAS Registry Number 1863065-92-2
Classification structurally similar to AB-CHMINACA by bearing an identical cyclohexyl group; however, the isobutyl moiety is substituted with a tert-butyl group
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30N4O2
InChI InChI=1S/C21H30N4O2/c1-21(2,3)18(19(22)26)23-20(27)17-15-11-7-8-12-16(15)25(24-17)13-14-9-5-4-6-10-14/h7-8,11-12,14,18H,4-6,9-10,13H2,1-3H3,(H2,22,26)(H,23,27)
InChIKey ZWCCSIUBHCZKOY-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES N(C(c1n[n](c2ccccc12)CC1CCCCC1)=O)C(C(=O)N)C(C)(C)C
Source of Spectrum Forensic Spectral Research
Synonyms N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)-1H-indazole-3-carboxamide; ADB-CHMINACA
Technique ATR-Neat (DuraSamplIR II)