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(1S,2R,5S)-5-Methyl-2-[1-methyl-1-(2-naphthyl)ethyl]cyclohexyl (1S,4R)-6-(6-Chloro-3-pyridyl)-2-oxa-3-aza-bicyclo[2.2.2]oct-5-ene-3-carboxylate

View entire compound with spectra: 2 MS (GC)

(1S,2R,5S)-5-Methyl-2-[1-methyl-1-(2-naphthyl)ethyl]cyclohexyl (1S,4R)-6-(6-Chloro-3-pyridyl)-2-oxa-3-aza-bicyclo[2.2.2]oct-5-ene-3-carboxylate
SpectraBase Compound ID KtNLh2Ddz2B
InChI InChI=1S/C32H35ClN2O3/c1-20-8-13-27(32(2,3)24-11-9-21-6-4-5-7-22(21)17-24)29(16-20)37-31(36)35-25-12-14-28(38-35)26(18-25)23-10-15-30(33)34-19-23/h4-7,9-11,15,17-20,25,27-29H,8,12-14,16H2,1-3H3/t20-,25+,27-,28-,29?/m0/s1
InChIKey HEDJPABWFIGJOJ-MSLSLVSESA-N
Mol Weight 531.1 g/mol
Molecular Formula C32H35ClN2O3
Exact Mass 530.233621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAUzXLG6Jqd
Name (1S,2R,5S)-5-Methyl-2-[1-methyl-1-(2-naphthyl)ethyl]cyclohexyl (1S,4R)-6-(6-Chloro-3-pyridyl)-2-oxa-3-aza-bicyclo[2.2.2]oct-5-ene-3-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H35ClN2O3
InChI InChI=1S/C32H35ClN2O3/c1-20-8-13-27(32(2,3)24-11-9-21-6-4-5-7-22(21)17-24)29(16-20)37-31(36)35-25-12-14-28(38-35)26(18-25)23-10-15-30(33)34-19-23/h4-7,9-11,15,17-20,25,27-29H,8,12-14,16H2,1-3H3/t20-,25+,27-,28-,29?/m0/s1
InChIKey HEDJPABWFIGJOJ-MSLSLVSESA-N
Molecular Weight 531.096 g/mol
SMILES C(N1O[C@]2([H])C(=C[C@]1(CC2)[H])c1cnc(cc1)Cl)(OC1[C@@](C(c2cc3ccccc3cc2)(C)C)(CC[C@@](C1)(C)[H])[H])=O
SPLASH splash10-0aor-0900000000-5cf3aaaac88e62906b21
Source of Spectrum J-63-8405-24
Synonyms (2R,5S)-5-methyl-2-[1-methyl-1-(2-naphthyl)ethyl]cyclohexyl (1S,4R)-6-(6-chloro-3-pyridinyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate
Wiley ID 1403372