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5-Heptenenitrile, 4,4-diacetyl-6-methyl-
SpectraBase Compound ID KIpxbGi4iPR
InChI InChI=1S/C12H17NO2/c1-9(2)8-12(10(3)14,11(4)15)6-5-7-13/h8H,5-6H2,1-4H3
InChIKey MLTSYWXXDYXRCF-UHFFFAOYSA-N
Mol Weight 207.27 g/mol
Molecular Formula C12H17NO2
Exact Mass 207.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kl7y8skGqJr
Name 5-Heptenenitrile, 4,4-diacetyl-6-methyl-
Alternate Name(s) 1-Cyano-3,3-diacetyl-5-methyl-4-hexene 4,4-Diacetyl-6-methyl-5-heptenenitrile
CAS Registry Number 131134-61-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO2
InChI InChI=1S/C12H17NO2/c1-9(2)8-12(10(3)14,11(4)15)6-5-7-13/h8H,5-6H2,1-4H3
InChIKey MLTSYWXXDYXRCF-UHFFFAOYSA-N
Molecular Weight 207.273 g/mol
SMILES C(C=C(C)C)(C(=O)C)(C(=O)C)CCC#N
SPLASH splash10-00p0-3900000000-d939258157b290d6c4dd
Source of Spectrum F-46-5303-13
Wiley ID 1205865