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3-[8-(2-methyl-1,3-dioxolan-2-yl)-5-azabicyclo[2.2.2]oct-2-en-5-yl]-6-prop-2-enyl-1-cyclohex-2-enone
SpectraBase Compound ID 3Aygwz7bsYA
InChI InChI=1S/C20H27NO3/c1-3-4-15-6-7-16(12-19(15)22)21-13-14-5-8-18(21)17(11-14)20(2)23-9-10-24-20/h3,5,8,12,14-15,17-18H,1,4,6-7,9-11,13H2,2H3/t14-,15?,17+,18+/m1/s1
InChIKey UHWUPBGHLDVYPP-YZYLHUITSA-N
Mol Weight 329.44 g/mol
Molecular Formula C20H27NO3
Exact Mass 329.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KuHzBdMWz5Q
Name 3-[8-(2-methyl-1,3-dioxolan-2-yl)-5-azabicyclo[2.2.2]oct-2-en-5-yl]-6-prop-2-enyl-1-cyclohex-2-enone
CAS Registry Number 78890-92-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO3
InChI InChI=1S/C20H27NO3/c1-3-4-15-6-7-16(12-19(15)22)21-13-14-5-8-18(21)17(11-14)20(2)23-9-10-24-20/h3,5,8,12,14-15,17-18H,1,4,6-7,9-11,13H2,2H3/t14-,15?,17+,18+/m1/s1
InChIKey UHWUPBGHLDVYPP-YZYLHUITSA-N
Molecular Weight 329.440 g/mol
SMILES [C@@]12(N(C[C@@](C[C@@]2(C2(OCCO2)C)[H])(C=C1)[H])C1=CC(=O)C(CC1)CC=C)[H]
SPLASH splash10-03y0-2091000000-c0ea8f077842d06f4151
Source of Spectrum J-46-4653-0
Synonyms 3-[8-(2-methyl-1,3-dioxolan-2-yl)-5-azabicyclo[2.2.2]oct-2-en-5-yl]-6-prop-2-enyl-cyclohex-2-en-1-one 6-Allyl-3-[8-(2-methyl-1,3-dioxolan-2-yl)-5-azabicyclo[2.2.2]oct-2-en-5-yl]cyclohex-2-en-1-one
Wiley ID 1327236