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1-((2R,3S)-3-Cyclohex-1-enyl-2-methyl-3-phenylsulfanyl-propyl)-3-(4-nitro-phenyl)-urea
SpectraBase Compound ID CN6pkdVwoeQ
InChI InChI=1S/C23H27N3O3S/c1-17(16-24-23(27)25-19-12-14-20(15-13-19)26(28)29)22(18-8-4-2-5-9-18)30-21-10-6-3-7-11-21/h3,6-8,10-15,17,22H,2,4-5,9,16H2,1H3,(H2,24,25,27)/t17-,22+/m1/s1
InChIKey UWJMYPBXISOWDX-VGSWGCGISA-N
Mol Weight 425.55 g/mol
Molecular Formula C23H27N3O3S
Exact Mass 425.177313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ID7M0UAciCT
Name 1-((2R,3S)-3-Cyclohex-1-enyl-2-methyl-3-phenylsulfanyl-propyl)-3-(4-nitro-phenyl)-urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27N3O3S
InChI InChI=1S/C23H27N3O3S/c1-17(16-24-23(27)25-19-12-14-20(15-13-19)26(28)29)22(18-8-4-2-5-9-18)30-21-10-6-3-7-11-21/h3,6-8,10-15,17,22H,2,4-5,9,16H2,1H3,(H2,24,25,27)/t17-,22+/m1/s1
InChIKey UWJMYPBXISOWDX-VGSWGCGISA-N
Molecular Weight 425.547 g/mol
SMILES N(C(NC[C@]([C@@](C1=CCCCC1)(Sc1ccccc1)[H])(C)[H])=O)c1ccc(N(=O)=O)cc1
SPLASH splash10-0gvt-4900000000-55fb861119a80058336f
Source of Spectrum KC-1993-1649-36
Synonyms N-[(2R,3S)-3-(1-cyclohexen-1-yl)-2-methyl-3-(phenylsulfanyl)propyl]-N'-(4-nitrophenyl)urea syn-(2RS,3SR)-N'-(p-Nitrophenyl)-N-[2-methyl-3-(phenylthio)-3-(cyclohexenyl)propyl]urea
Wiley ID 778326