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(4R,4aS)-1,1-dimethyl-4-(1-methylethenyl)-7-oxo-3,4,5,6-tetrahydro-2H-naphthalene-4a-carbonitrile
SpectraBase Compound ID 8OQVz3jEcMZ
InChI InChI=1S/C16H21NO/c1-11(2)13-6-7-15(3,4)14-9-12(18)5-8-16(13,14)10-17/h9,13H,1,5-8H2,2-4H3/t13-,16+/m1/s1
InChIKey DZPJETQITYUNNF-CJNGLKHVSA-N
Mol Weight 243.35 g/mol
Molecular Formula C16H21NO
Exact Mass 243.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRdC0N0P8hw
Name (4R,4aS)-1,1-dimethyl-4-(1-methylethenyl)-7-oxo-3,4,5,6-tetrahydro-2H-naphthalene-4a-carbonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO
InChI InChI=1S/C16H21NO/c1-11(2)13-6-7-15(3,4)14-9-12(18)5-8-16(13,14)10-17/h9,13H,1,5-8H2,2-4H3/t13-,16+/m1/s1
InChIKey DZPJETQITYUNNF-CJNGLKHVSA-N
Molecular Weight 243.350 g/mol
SMILES C=1C(CC[C@@]2([C@](CCC(C12)(C)C)(C(=C)C)[H])C#N)=O
SPLASH splash10-0uel-5590000000-a16d588629603b3bc6e8
Source of Spectrum F-56-2092-0
Synonyms (4R,4aS)-1,1-dimethyl-7-oxidanylidene-4-prop-1-en-2-yl-3,4,5,6-tetrahydro-2H-naphthalene-4a-carbonitrile (4R,4aS)-1,1-dimethyl-7-oxo-4-prop-1-en-2-yl-3,4,5,6-tetrahydro-2H-naphthalene-4a-carbonitrile (4R,4aS)-4-isopropenyl-1,1-dimethyl-7-oxo-3,4,5,6-tetrahydro-2H-naphthalene-4a-carbonitrile (4R,4aS)-4-isopropenyl-7-keto-1,1-dimethyl-3,4,5,6-tetrahydro-2H-naphthalene-4a-carbonitrile
Wiley ID 856345