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trans-3-Methyl Thiofentanyl
SpectraBase Compound ID 4H1pl9r2mD2
InChI InChI=1S/C21H28N2OS/c1-3-21(24)23(18-8-5-4-6-9-18)20-12-14-22(16-17(20)2)13-11-19-10-7-15-25-19/h4-10,15,17,20H,3,11-14,16H2,1-2H3/t17-,20-/m0/s1
InChIKey SRARDYUHGVMEQI-PXNSSMCTSA-N
Mol Weight 356.53 g/mol
Molecular Formula C21H28N2OS
Exact Mass 356.192235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Z9P0r0RUR0
Name trans-3-Methyl Thiofentanyl
Alternate Name(s) N-((3R,4R)-3-methyl-1-(2-(thiophen-2-yl)ethyl)piperidin-4-yl)-N-phenylpropionamide N-((3S,4S)-3-methyl-1-(2-(thiophen-2-yl)ethyl)piperidin-4-yl)-N-phenylpropionamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N2OS
InChI InChI=1S/C21H28N2OS/c1-3-21(24)23(18-8-5-4-6-9-18)20-12-14-22(16-17(20)2)13-11-19-10-7-15-25-19/h4-10,15,17,20H,3,11-14,16H2,1-2H3/t17-,20-/m0/s1
InChIKey SRARDYUHGVMEQI-PXNSSMCTSA-N
Molecular Weight 356.528 g/mol
SMILES C(=O)(N(c1ccccc1)[C@]1(CCN(CCc2cccs2)C[C@@]1(C)[H])[H])CC
SPLASH splash10-0a4i-7690000000-dfd8075ee1b2cea2866e
Source of Spectrum SWG-33-4916-0
Wiley ID 1811499