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(1R,2S,5R)-5-Methyl-2-[1-methyl-1-(4-bromophenyl)ethyl]cyclohexyl (1R,4S)-2-Oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate

View entire compound with spectra: 1 MS (GC)

(1R,2S,5R)-5-Methyl-2-[1-methyl-1-(4-bromophenyl)ethyl]cyclohexyl (1R,4S)-2-Oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate
SpectraBase Compound ID 7oyRrcPBIaI
InChI InChI=1S/C23H30BrNO3/c1-15-4-13-20(23(2,3)16-5-7-17(24)8-6-16)21(14-15)27-22(26)25-18-9-11-19(28-25)12-10-18/h5-9,11,15,18-21H,4,10,12-14H2,1-3H3/t15-,18?,19?,20-,21-/m1/s1
InChIKey KWAQPIGHHKJWMK-JPRJCOASSA-N
Mol Weight 448.4 g/mol
Molecular Formula C23H30BrNO3
Exact Mass 447.140907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5SOmFcCdjVJ
Name (1R,2S,5R)-5-Methyl-2-[1-methyl-1-(4-bromophenyl)ethyl]cyclohexyl (1R,4S)-2-Oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate
Alternate Name(s) (1R,2S,5R)-2-[1-(4-bromophenyl)-1-methylethyl]-5-methylcyclohexyl 2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate
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Formula C23H30BrNO3
InChI InChI=1S/C23H30BrNO3/c1-15-4-13-20(23(2,3)16-5-7-17(24)8-6-16)21(14-15)27-22(26)25-18-9-11-19(28-25)12-10-18/h5-9,11,15,18-21H,4,10,12-14H2,1-3H3/t15-,18?,19?,20-,21-/m1/s1
InChIKey KWAQPIGHHKJWMK-JPRJCOASSA-N
Molecular Weight 448.401 g/mol
SMILES C(N1OC2C=CC1CC2)(O[C@]1([C@](C(c2ccc(cc2)Br)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O
SPLASH splash10-0059-9400000000-173dbfa6a136c56abde4
Source of Spectrum J-63-8403-14
Wiley ID 1386912