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(1R,2S,5R)-5-Methyl-2-isopropylcyclohexyl (1R,4S)-2-Oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate
SpectraBase Compound ID 4nfEjamGTd6
InChI InChI=1S/C17H27NO3/c1-11(2)15-9-4-12(3)10-16(15)20-17(19)18-13-5-7-14(21-18)8-6-13/h5,7,11-16H,4,6,8-10H2,1-3H3/t12-,13-,14+,15+,16?/m1/s1
InChIKey MNTYDEFTOJSIGF-WHWZVRATSA-N
Mol Weight 293.41 g/mol
Molecular Formula C17H27NO3
Exact Mass 293.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLR5pKJ0HUt
Name (1R,2S,5R)-5-Methyl-2-isopropylcyclohexyl (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 C17H27NO3
InChI InChI=1S/C17H27NO3/c1-11(2)15-9-4-12(3)10-16(15)20-17(19)18-13-5-7-14(21-18)8-6-13/h5,7,11-16H,4,6,8-10H2,1-3H3/t12-,13-,14+,15+,16?/m1/s1
InChIKey MNTYDEFTOJSIGF-WHWZVRATSA-N
Molecular Weight 293.407 g/mol
SMILES C(N1O[C@@]2([H])C=C[C@@]1(CC2)[H])(OC1[C@@](CC[C@](C1)(C)[H])(C(C)C)[H])=O
SPLASH splash10-0059-9000000000-4c20bd736ac8b750cfa6
Source of Spectrum J-63-8403-14
Synonyms (2S,5R)-2-isopropyl-5-methylcyclohexyl (1R,4S)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate
Wiley ID 1296416