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(1R,1'S,2S,5R)- and (1R,1'R,2S,5R)-5-methyl-2-methylethylcyclohexyl 2'-bromocyclohex-2'-enylcarbamate (1:1 mixture)
SpectraBase Compound ID AlwOh4EPk9r
InChI InChI=1S/C17H28BrNO2/c1-11(2)13-9-8-12(3)10-15(13)19-17(20)21-16-7-5-4-6-14(16)18/h6,11-13,15-16H,4-5,7-10H2,1-3H3,(H,19,20)/t12-,13+,15-,16+/m1/s1
InChIKey BYLTVKKXLJKMRA-CLWVCHIJSA-N
Mol Weight 358.32 g/mol
Molecular Formula C17H28BrNO2
Exact Mass 357.130342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CV9CS3SLiF8
Name (1R,1'S,2S,5R)- and (1R,1'R,2S,5R)-5-methyl-2-methylethylcyclohexyl 2'-bromocyclohex-2'-enylcarbamate (1:1 mixture)
Alternate Name(s) (1S)-2-bromo-2-cyclohexen-1-yl (1R,2S,5R)-2-isopropyl-5-methylcyclohexylcarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28BrNO2
InChI InChI=1S/C17H28BrNO2/c1-11(2)13-9-8-12(3)10-15(13)19-17(20)21-16-7-5-4-6-14(16)18/h6,11-13,15-16H,4-5,7-10H2,1-3H3,(H,19,20)/t12-,13+,15-,16+/m1/s1
InChIKey BYLTVKKXLJKMRA-CLWVCHIJSA-N
Molecular Weight 358.320 g/mol
SMILES N([C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])C(O[C@@]1(C(=CCCC1)Br)[H])=O
SPLASH splash10-0006-9800000000-91e02b56e1c7f4a38b6f
Source of Spectrum B-47-2235-0
Wiley ID 1346386