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(4aR,5S)-4a-Cyano-5-isopropenyl-8-methyl-4,4a,5,6-tetrahydronaphthalen-2(3H)-one
SpectraBase Compound ID DOrP5eq2q8A
InChI InChI=1S/C15H17NO/c1-10(2)13-5-4-11(3)14-8-12(17)6-7-15(13,14)9-16/h4,8,13H,1,5-7H2,2-3H3/t13-,15+/m0/s1
InChIKey ZGKMAOYWLWHOSB-DZGCQCFKSA-N
Mol Weight 227.31 g/mol
Molecular Formula C15H17NO
Exact Mass 227.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvEbPQrKwnQ
Name (4aR,5S)-4a-Cyano-5-isopropenyl-8-methyl-4,4a,5,6-tetrahydronaphthalen-2(3H)-one
Alternate Name(s) (4aR,5S)-5-isopropenyl-8-methyl-2-oxo-3,4,5,6-tetrahydro-4a(2H)-naphthalenecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO
InChI InChI=1S/C15H17NO/c1-10(2)13-5-4-11(3)14-8-12(17)6-7-15(13,14)9-16/h4,8,13H,1,5-7H2,2-3H3/t13-,15+/m0/s1
InChIKey ZGKMAOYWLWHOSB-DZGCQCFKSA-N
Molecular Weight 227.307 g/mol
SMILES [C@@]12(C(C(C)=CC[C@]2(C(=C)C)[H])=CC(CC1)=O)C#N
SPLASH splash10-00di-0910000000-b499998f02c63e4e5d84
Source of Spectrum F-56-2091-23
Wiley ID 856351