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(1S,6R)-3-isopropyl-5-keto-6-methyl-cyclohex-3-ene-1-carbonitrile
SpectraBase Compound ID 30KVMXmZlUq
InChI InChI=1S/C11H15NO/c1-7(2)9-4-10(6-12)8(3)11(13)5-9/h5,7-8,10H,4H2,1-3H3/t8-,10-/m1/s1
InChIKey IFKXAARVLHWJDW-PSASIEDQSA-N
Mol Weight 177.25 g/mol
Molecular Formula C11H15NO
Exact Mass 177.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BSA2RUFUQKa
Name (1S,6R)-3-isopropyl-5-keto-6-methyl-cyclohex-3-ene-1-carbonitrile
Alternate Name(s) (1S,6R)-3-isopropyl-6-methyl-5-oxo-cyclohex-3-ene-1-carbonitrile (1S,6R)-6-methyl-5-oxidanylidene-3-propan-2-yl-cyclohex-3-ene-1-carbonitrile (1S,6R)-6-methyl-5-oxo-3-propan-2-yl-1-cyclohex-3-enecarbonitrile (1S,6R)-6-methyl-5-oxo-3-propan-2-ylcyclohex-3-ene-1-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15NO
InChI InChI=1S/C11H15NO/c1-7(2)9-4-10(6-12)8(3)11(13)5-9/h5,7-8,10H,4H2,1-3H3/t8-,10-/m1/s1
InChIKey IFKXAARVLHWJDW-PSASIEDQSA-N
Molecular Weight 177.247 g/mol
SMILES C1(=CC(=O)[C@@]([C@](C1)(C#N)[H])(C)[H])C(C)C
SPLASH splash10-03dj-8900000000-2a4c49bc32d10052bc07
Source of Spectrum KC-0-1157-7
Wiley ID 783752