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Pentedrone HCl

View entire compound with spectra: 1 NMR, 2 FTIR, and 2 Raman

Pentedrone HCl
SpectraBase Compound ID 6Zxnjiqvuuj
InChI InChI=1S/C12H17NO.ClH/c1-3-7-11(13-2)12(14)10-8-5-4-6-9-10;/h4-6,8-9,11,13H,3,7H2,1-2H3;1H
InChIKey MACVVBRQAPNUKT-UHFFFAOYSA-N
Mol Weight 227.73 g/mol
Molecular Formula C12H18ClNO
Exact Mass 227.107692 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID A6dmURrLNXI
Name Pentedrone HCl
Source of Sample Cayman Chemical Company
Catalog Number 11011
Lot Number 0437629-2
Accessory DurasamplIR II
CAS Registry Number 879669-95-1
Classification substituted cathinone, structurally similar to methcathinone, a psychoactive stimulant
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Formula C12H18ClNO
InChI InChI=1S/C12H17NO.ClH/c1-3-7-11(13-2)12(14)10-8-5-4-6-9-10;/h4-6,8-9,11,13H,3,7H2,1-2H3;1H
InChIKey MACVVBRQAPNUKT-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Synonyms alpha-Methylaminovalerophenone HCl; 2-(Methylamino)-1-phenyl-1-pentanone, monohydrochloride
Technique ATR-Neat (DuraSamplIR II)