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Malononitrile, 1-(4-t-butyl-1-cyclohexen-1-yl)-1-(1-cyclopenten-3-on-1-yl)-
SpectraBase Compound ID 5Ru8FXrDJj8
InChI InChI=1S/C18H22N2O/c1-17(2,3)13-4-6-14(7-5-13)18(11-19,12-20)15-8-9-16(21)10-15/h6,10,13H,4-5,7-9H2,1-3H3
InChIKey RWKQEQDRAKLHAL-UHFFFAOYSA-N
Mol Weight 282.39 g/mol
Molecular Formula C18H22N2O
Exact Mass 282.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OAEvCgZtPr
Name MALONONITRILE, 1-(4-tert-BUTYL-1-CYCLOHEXEN-1-YL)-1-(1-CYCLOPENTEN-3-ON-1-YL)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H22N2O
InChI InChI=1S/C18H22N2O/c1-17(2,3)13-4-6-14(7-5-13)18(11-19,12-20)15-8-9-16(21)10-15/h6,10,13H,4-5,7-9H2,1-3H3
InChIKey RWKQEQDRAKLHAL-UHFFFAOYSA-N
Molecular Weight 282.1727
SMILES C1(=O)CCC(C(C=2CCC(C(C)(C)C)CC2)(C#N)C#N)=C1
SPLASH splash10-0a6r-9350000000-53c30c9528d9f73d61c8
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany