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(1R,2S,5R)-5-Methyl-2-[1-methyl-1-(4-nitrophenyl)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-nitrophenyl)ethyl]cyclohexyl (1R,4S)-2-Oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate
SpectraBase Compound ID 5JO0lzRjhhm
InChI InChI=1S/C23H30N2O5/c1-15-4-13-20(23(2,3)16-5-7-18(8-6-16)25(27)28)21(14-15)29-22(26)24-17-9-11-19(30-24)12-10-17/h5-9,11,15,17,19-21H,4,10,12-14H2,1-3H3/t15-,17-,19+,20-,21?/m1/s1
InChIKey NXRDHLNDRUSJTG-MALFUECMSA-N
Mol Weight 414.5 g/mol
Molecular Formula C23H30N2O5
Exact Mass 414.215472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHhLhcqYmcT
Name (1R,2S,5R)-5-Methyl-2-[1-methyl-1-(4-nitrophenyl)ethyl]cyclohexyl (1R,4S)-2-Oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30N2O5
InChI InChI=1S/C23H30N2O5/c1-15-4-13-20(23(2,3)16-5-7-18(8-6-16)25(27)28)21(14-15)29-22(26)24-17-9-11-19(30-24)12-10-17/h5-9,11,15,17,19-21H,4,10,12-14H2,1-3H3/t15-,17-,19+,20-,21?/m1/s1
InChIKey NXRDHLNDRUSJTG-MALFUECMSA-N
Molecular Weight 414.502 g/mol
SMILES C(N1O[C@@]2([H])C=C[C@@]1(CC2)[H])(OC1[C@](C(c2ccc(N(=O)=O)cc2)(C)C)(CC[C@](C1)(C)[H])[H])=O
SPLASH splash10-03fr-7900000000-e88d1742bbfb23abbb58
Source of Spectrum J-63-8403-14
Synonyms (1R,2S,5R)-5-methyl-2-[1-methyl-1-(4-nitrophenyl)ethyl]cyclohexyl 2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate
Wiley ID 1375438