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2-(3,5,5-trimethyl-3-oxidanyl-cyclohexen-1-yl)ethanenitrile
SpectraBase Compound ID KI32nvkPr7j
InChI InChI=1S/C11H17NO/c1-10(2)6-9(4-5-12)7-11(3,13)8-10/h7,13H,4,6,8H2,1-3H3
InChIKey IPKLIDMSXIRFJK-UHFFFAOYSA-N
Mol Weight 179.26 g/mol
Molecular Formula C11H17NO
Exact Mass 179.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3diXzYLLixU
Name 2-(3,5,5-trimethyl-3-oxidanyl-cyclohexen-1-yl)ethanenitrile
Alternate Name(s) 2-(3-hydroxy-3,5,5-trimethyl-1-cyclohexenyl)acetonitrile 2-(3-hydroxy-3,5,5-trimethyl-cyclohexen-1-yl)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO
InChI InChI=1S/C11H17NO/c1-10(2)6-9(4-5-12)7-11(3,13)8-10/h7,13H,4,6,8H2,1-3H3
InChIKey IPKLIDMSXIRFJK-UHFFFAOYSA-N
Molecular Weight 179.263 g/mol
SMILES OC1(C=C(CC#N)CC(C1)(C)C)C
SPLASH splash10-03di-1900000000-1740e6b226c9b5035c03
Source of Spectrum K-2002-1596-4
Wiley ID 1612888