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AB-CHMINACA
SpectraBase Compound ID EcC0ppp1UKr
InChI InChI=1S/C20H28N4O2/c1-13(2)17(19(21)25)22-20(26)18-15-10-6-7-11-16(15)24(23-18)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3,(H2,21,25)(H,22,26)/t17-/m0/s1
InChIKey KJNZIEGLNLCWTQ-KRWDZBQOSA-N
Mol Weight 356.47 g/mol
Molecular Formula C20H28N4O2
Exact Mass 356.221226 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1rsWxkwpG7c
Name AB-CHMINACA
Source of Sample Cayman Chemical Company
Catalog Number 15434
Lot Number 0455353-29
Apodization Function Triangular
CAS Registry Number 1185887-21-1
Carrier Gas Nitrogen (1 mL/min)
Cell Type Flow cell with gold-coated lightpipe (pyrex glass) and KBr windows
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DEA Citation 21 CFR §1308.11 (d) (69)
DEA Controlled Substance Name N-(1-Amino-3-methyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)-1H-indazole-3-carboxamide
DEA Controlled Substance Type Salts, isomers (whether optical, position, or geometric), and salts of such isomers
DEA Controlled Substances Code Number 7031
DEA Schedule Schedule I
DEA Section Hallucinogenic substances. Unless specifically excepted or unless listed in another schedule, any material, compound, mixture, or preparation, which contains any quantity of the following hallucinogenic substances, or which contains any of its salts, isomers, and salts of isomers whenever the existence of such salts, isomers, and salts of isomers is possible within the specific chemical designation (for purposes of this paragraph only, the term "isomer" includes the optical, position and geometric isomers)
Detector MCT wideband
Formula C20H28N4O2
GC Column Supelco SPB-1 (1.8 m x 0.32 mm ID x 0.25 µm film thickness)
GC Oven Program 180 °C (0.30 min hold) - 285 °C (10 °C/min) and 5 min hold
IUPAC Name N-[(1S)-1-(Aminocarbonyl)-2-methylpropyl]-1-(cyclohexylmethyl)-1H-indazole-3-carboxamide
InChI InChI=1S/C20H28N4O2/c1-13(2)17(19(21)25)22-20(26)18-15-10-6-7-11-16(15)24(23-18)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3,(H2,21,25)(H,22,26)/t17-/m0/s1
InChIKey KJNZIEGLNLCWTQ-KRWDZBQOSA-N
Inlet Type Splitless
Instrument Name HP 5890 Series II / HP 5965B (GC/IRD)
Instrument Properties Gram-Schmidt vector orthogonalization number of basis vectors: 8 number of basis coadditions: 5 vector offset: 60 points vector length: 100 points
Interferogram Mode Name Symmetry
Purity >=98%
Resolution 8 cm-1
Source of Spectrum Forensic Spectral Research
Technique Vapor Phase