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(1R,2S,5R)-5-Methyl-2-[1-methyl-1-phenylethyl]cyclohexyl (1R,4S)-2-Oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate
SpectraBase Compound ID Fli3mYAqADK
InChI InChI=1S/C23H31NO3/c1-16-9-14-20(23(2,3)17-7-5-4-6-8-17)21(15-16)26-22(25)24-18-10-12-19(27-24)13-11-18/h4-8,10,12,16,18-21H,9,11,13-15H2,1-3H3/t16-,18-,19+,20-,21?/m1/s1
InChIKey KBPBFENEENFMDF-MKJMBMEGSA-N
Mol Weight 369.51 g/mol
Molecular Formula C23H31NO3
Exact Mass 369.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B40ZMe7ZYwK
Name (1R,2S,5R)-5-Methyl-2-[1-methyl-1-phenylethyl]cyclohexyl (1R,4S)-2-Oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate
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Formula C23H31NO3
InChI InChI=1S/C23H31NO3/c1-16-9-14-20(23(2,3)17-7-5-4-6-8-17)21(15-16)26-22(25)24-18-10-12-19(27-24)13-11-18/h4-8,10,12,16,18-21H,9,11,13-15H2,1-3H3/t16-,18-,19+,20-,21?/m1/s1
InChIKey KBPBFENEENFMDF-MKJMBMEGSA-N
Molecular Weight 369.505 g/mol
SMILES C(N1O[C@@]2([H])C=C[C@@]1(CC2)[H])(OC1[C@](C(c2ccccc2)(C)C)(CC[C@](C1)(C)[H])[H])=O
SPLASH splash10-0aor-0900000000-e8eb457d060d6fbca101
Source of Spectrum J-63-8403-14
Synonyms (2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (1R,4S)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate
Wiley ID 1353810