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anti-(2RS,3RS)-N,N-Diethyl-N'-[(3-phenylthio-2-methyl-3-cyclohexenyl)propyl]urea
SpectraBase Compound ID Bpfbx27AMed
InChI InChI=1S/C21H32N2OS/c1-4-23(5-2)21(24)22-16-17(3)20(18-12-8-6-9-13-18)25-19-14-10-7-11-15-19/h7,10-12,14-15,17,20H,4-6,8-9,13,16H2,1-3H3,(H,22,24)/t17-,20-/m1/s1
InChIKey OMFVMOZERIQWPH-YLJYHZDGSA-N
Mol Weight 360.6 g/mol
Molecular Formula C21H32N2OS
Exact Mass 360.223535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDzombYQECQ
Name anti-(2RS,3RS)-N,N-Diethyl-N'-[(3-phenylthio-2-methyl-3-cyclohexenyl)propyl]urea
Alternate Name(s) N'-[(2R,3R)-3-(1-cyclohexen-1-yl)-2-methyl-3-(phenylsulfanyl)propyl]-N,N-diethylurea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32N2OS
InChI InChI=1S/C21H32N2OS/c1-4-23(5-2)21(24)22-16-17(3)20(18-12-8-6-9-13-18)25-19-14-10-7-11-15-19/h7,10-12,14-15,17,20H,4-6,8-9,13,16H2,1-3H3,(H,22,24)/t17-,20-/m1/s1
InChIKey OMFVMOZERIQWPH-YLJYHZDGSA-N
Molecular Weight 360.560 g/mol
SMILES N(C(N(CC)CC)=O)C[C@]([C@](C1=CCCCC1)(Sc1ccccc1)[H])(C)[H]
SPLASH splash10-0udi-0940000000-6f78875d60765273cfc4
Source of Spectrum KC-1993-1648-30
Wiley ID 778338