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MDMB-BUTINACA
SpectraBase Compound ID BravGmE2I21
InChI InChI=1S/C19H27N3O3/c1-6-7-12-22-14-11-9-8-10-13(14)15(21-22)17(23)20-16(18(24)25-5)19(2,3)4/h8-11,16H,6-7,12H2,1-5H3,(H,20,23)/t16-/m1/s1
InChIKey YHAWFWPNIXPRDT-MRXNPFEDSA-N
Mol Weight 345.44 g/mol
Molecular Formula C19H27N3O3
Exact Mass 345.205242 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 9o1vMuSEPsv
Name MDMB-BUTINACA
Source of Sample Cayman Chemical Company
Catalog Number 28739
Lot Number 0573684-5
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
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Formula C19H27N3O3
IUPAC Name Methyl (S)-2-(1-butyl-1H-indazole-3-carboxamido)-3,3-dimethylbutanoate
InChI InChI=1S/C19H27N3O3/c1-6-7-12-22-14-11-9-8-10-13(14)15(21-22)17(23)20-16(18(24)25-5)19(2,3)4/h8-11,16H,6-7,12H2,1-5H3,(H,20,23)/t16-/m1/s1
InChIKey YHAWFWPNIXPRDT-MRXNPFEDSA-N
Instrument Name Bio-Rad FTS
Purity >=98%
SMILES N(C(c1n[n](c2c1cccc2)CCCC)=O)[C@@](C(C)(C)C)(C(OC)=O)[H]
Scan Speed (number) 5
Solvent Dichloromethane
Source of Spectrum Forensic Spectral Research
Technique ATR-Film
UV - Neutral Conditions UVmax (nm): 302