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4-chloro MDMB-BUTICA
SpectraBase Compound ID 55B4rryzQie
InChI InChI=1S/C20H27ClN2O3/c1-20(2,3)17(19(25)26-4)22-18(24)15-13-23(12-8-7-11-21)16-10-6-5-9-14(15)16/h5-6,9-10,13,17H,7-8,11-12H2,1-4H3,(H,22,24)/t17-/m1/s1
InChIKey AVOZNDFOMNISOO-QGZVFWFLSA-N
Mol Weight 378.9 g/mol
Molecular Formula C20H27ClN2O3
Exact Mass 378.17102 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID Dw9r0dUiv9j
Name 4-Chloro MDMB-BUTICA
Source of Sample Cayman Chemical Company
Catalog Number 31805
Lot Number 0599284-7
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
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Formula C20H27ClN2O3
IUPAC Name Methyl (S)-2-(1-(4-chlorobutyl)-1H-indole-3-carboxamido)-3,3-dimethylbutanoate
InChI InChI=1S/C20H27ClN2O3/c1-20(2,3)17(19(25)26-4)22-18(24)15-13-23(12-8-7-11-21)16-10-6-5-9-14(15)16/h5-6,9-10,13,17H,7-8,11-12H2,1-4H3,(H,22,24)/t17-/m1/s1
InChIKey AVOZNDFOMNISOO-QGZVFWFLSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 378.900 g/mol
Purity >=98%
SMILES N(C(c1c[n](c2c1cccc2)CCCCCl)=O)[C@@](C(C)(C)C)(C(OC)=O)[H]
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms 4-Chloro MDMB-BICA
Technique ATR-Neat
UV - Neutral Conditions UVmax (nm): 218, 290