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2-Phenyl-2-cyanopropionyl cyanide
SpectraBase Compound ID LQBaHouGoQn
InChI InChI=1S/C11H8N2O/c1-11(8-13,10(14)7-12)9-5-3-2-4-6-9/h2-6H,1H3
InChIKey TWNIILKLRTVHSJ-UHFFFAOYSA-N
Mol Weight 184.2 g/mol
Molecular Formula C11H8N2O
Exact Mass 184.063663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BoXwjB9QO3
Name 2-Phenyl-2-cyanopropionyl cyanide
Alternate Name(s) 2-Methyl-3-oxo-2-phenylsuccinonitrile
CAS Registry Number 78515-74-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N2O
InChI InChI=1S/C11H8N2O/c1-11(8-13,10(14)7-12)9-5-3-2-4-6-9/h2-6H,1H3
InChIKey TWNIILKLRTVHSJ-UHFFFAOYSA-N
Molecular Weight 184.198 g/mol
SMILES C(C#N)(C(C#N)=O)(c1ccccc1)C
SPLASH splash10-001i-0900000000-0dd9220a95cb458253e8
Source of Spectrum J-46-4501-0
Wiley ID 1180796