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2-(4-Cyano-3-butenyl)cyclohexen-1-one
SpectraBase Compound ID 3fY5TSToKoC
InChI InChI=1S/C11H13NO/c12-9-5-1-2-6-10-7-3-4-8-11(10)13/h1,5,7H,2-4,6,8H2/b5-1+
InChIKey JVXCMTWLICNUGT-ORCRQEGFSA-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 CbPFWCPYHix
Name 2-(4-Cyano-3-butenyl)cyclohexen-1-one
Alternate Name(s) (2E)-5-(6-oxo-1-cyclohexen-1-yl)-2-pentenenitrile 2-(4-Cyano-3-butenyl)-2-cyclohexen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO
InChI InChI=1S/C11H13NO/c12-9-5-1-2-6-10-7-3-4-8-11(10)13/h1,5,7H,2-4,6,8H2/b5-1+
InChIKey JVXCMTWLICNUGT-ORCRQEGFSA-N
Molecular Weight 175.231 g/mol
SMILES C(#N)\C=C\CCC=1C(=O)CCCC1
SPLASH splash10-001i-9700000000-3adc8e6613109e1027a2
Source of Spectrum C-119-8785-21
Wiley ID 760628