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1,3-Dioxolane-2-heptanenitrile, .alpha.-methyl-.delta.-oxo-2-phenyl-
SpectraBase Compound ID CEtCQ8DBI1p
InChI InChI=1S/C17H21NO3/c1-14(13-18)7-8-16(19)9-10-17(20-11-12-21-17)15-5-3-2-4-6-15/h2-6,14H,7-12H2,1H3
InChIKey RXCQJNYVWMHMEO-UHFFFAOYSA-N
Mol Weight 287.36 g/mol
Molecular Formula C17H21NO3
Exact Mass 287.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KI0RKiuwdm4
Name 1,3-Dioxolane-2-heptanenitrile, .alpha.-methyl-.delta.-oxo-2-phenyl-
CAS Registry Number 58422-90-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO3
InChI InChI=1S/C17H21NO3/c1-14(13-18)7-8-16(19)9-10-17(20-11-12-21-17)15-5-3-2-4-6-15/h2-6,14H,7-12H2,1H3
InChIKey RXCQJNYVWMHMEO-UHFFFAOYSA-N
Molecular Weight 287.359 g/mol
SMILES CC(CCC(CCC1(c2ccccc2)OCCO1)=O)C#N
SPLASH splash10-0002-0900000000-aa521f9bb27ebe1267e0
Source of Spectrum C-99-1539-0
Synonyms 2-Methyl-5-oxo-7-(2-phenyl-1,3-dioxolan-2-yl)heptanenitrile 2-Methyl-5-oxidanylidene-7-(2-phenyl-1,3-dioxolan-2-yl)heptanenitrile 5-keto-2-methyl-7-(2-phenyl-1,3-dioxolan-2-yl)enanthonitrile
Wiley ID 1290880