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(1S,6S)-6-Isopropenyl-3-methyl-2-oxo-3-cyclohexenecarbonitrile
SpectraBase Compound ID JUdwbtIsu8a
InChI InChI=1S/C11H13NO/c1-7(2)9-5-4-8(3)11(13)10(9)6-12/h4,9-10H,1,5H2,2-3H3/t9-,10-/m1/s1
InChIKey DJAKMCJQJRMQLC-NXEZZACHSA-N
Mol Weight 175.23 g/mol
Molecular Formula C11H13NO
Exact Mass 175.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LA1PyRSmmnl
Name (1S,6S)-6-Isopropenyl-3-methyl-2-oxo-3-cyclohexenecarbonitrile
Alternate Name(s) (1S,6S)-6-isopropenyl-3-methyl-2-oxo-3-cyclohexene-1-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO
InChI InChI=1S/C11H13NO/c1-7(2)9-5-4-8(3)11(13)10(9)6-12/h4,9-10H,1,5H2,2-3H3/t9-,10-/m1/s1
InChIKey DJAKMCJQJRMQLC-NXEZZACHSA-N
Molecular Weight 175.231 g/mol
SMILES [C@]1(C(C(C)=CC[C@@]1(C(=C)C)[H])=O)(C#N)[H]
SPLASH splash10-0ugi-9100000000-f45b374604d2c8fbc9c0
Source of Spectrum F-56-2082-0
Wiley ID 856397