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2,4-Cyclopentadiene-1-carbonitrile, 1,3-dimethyl-
SpectraBase Compound ID KXJPPwyq2Fo
InChI InChI=1S/C8H9N/c1-7-3-4-8(2,5-7)6-9/h3-5H,1-2H3
InChIKey IUEOVDRIARMCJG-UHFFFAOYSA-N
Mol Weight 119.17 g/mol
Molecular Formula C8H9N
Exact Mass 119.073499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7fj4eb20XoH
Name 2,4-Cyclopentadiene-1-carbonitrile, 1,3-dimethyl-
Alternate Name(s) 1,3-dimethyl-2,4-cyclopentadiene-1-carbonitrile 2,5-Dimethyl-1,3-cyclopentadiene-5-carbonitrile
CAS Registry Number 84883-92-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9N
InChI InChI=1S/C8H9N/c1-7-3-4-8(2,5-7)6-9/h3-5H,1-2H3
InChIKey IUEOVDRIARMCJG-UHFFFAOYSA-N
Molecular Weight 119.167 g/mol
SMILES C(#N)C1(C=C(C)C=C1)C
SPLASH splash10-0udi-0900000000-0ad0a7465de02ebbf229
Source of Spectrum K-116-314-0
Wiley ID 1126899