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1-{5-[((S)-2-Methoxymethylpyrrolidin-1-ylimino)methyl]-(1S,6R)-1-methyl-6-vinylcyclohexa-2,4-dienyl}ethanone
SpectraBase Compound ID 6hWW7TVsgbE
InChI InChI=1S/C18H26N2O2/c1-5-17-15(8-6-10-18(17,3)14(2)21)12-19-20-11-7-9-16(20)13-22-4/h5-6,8,10,12,16-17H,1,7,9,11,13H2,2-4H3/b19-12+/t16-,17+,18+/m0/s1
InChIKey BHEUAMQSOYXIBO-ASXNJKKLSA-N
Mol Weight 302.42 g/mol
Molecular Formula C18H26N2O2
Exact Mass 302.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1eVp0cilOq
Name 1-{5-[((S)-2-Methoxymethylpyrrolidin-1-ylimino)methyl]-(1S,6R)-1-methyl-6-vinylcyclohexa-2,4-dienyl}ethanone
Alternate Name(s) 1-[(1S,6R)-5-((E)-{[(2S)-2-(methoxymethyl)pyrrolidinyl]imino}methyl)-1-methyl-6-vinyl-2,4-cyclohexadien-1-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26N2O2
InChI InChI=1S/C18H26N2O2/c1-5-17-15(8-6-10-18(17,3)14(2)21)12-19-20-11-7-9-16(20)13-22-4/h5-6,8,10,12,16-17H,1,7,9,11,13H2,2-4H3/b19-12+/t16-,17+,18+/m0/s1
InChIKey BHEUAMQSOYXIBO-ASXNJKKLSA-N
Molecular Weight 302.418 g/mol
SMILES [C@@]1([C@@](C(\C=N\N2[C@](COC)(CCC2)[H])=CC=C1)(C=C)[H])(C(=O)C)C
SPLASH splash10-00fs-9510000000-1b35916f57cc7c85636d
Source of Spectrum SO-0-2051-28
Wiley ID 878832