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2-(9-(Tetrahydropyranyloxy)-3(Z)-nonen-1,5-diynyl]benzonitrile
SpectraBase Compound ID 45nG48QMptJ
InChI InChI=1S/C21H21NO2/c22-18-20-14-8-7-13-19(20)12-6-4-2-1-3-5-10-16-23-21-15-9-11-17-24-21/h2,4,7-8,13-14,21H,5,9-11,15-17H2/b4-2-
InChIKey UDWDKGPJYSPQCD-RQOWECAXSA-N
Mol Weight 319.4 g/mol
Molecular Formula C21H21NO2
Exact Mass 319.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ILgqQJslglJ
Name 2-(9-(Tetrahydropyranyloxy)-3(Z)-nonen-1,5-diynyl]benzonitrile
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Formula C21H21NO2
InChI InChI=1S/C21H21NO2/c22-18-20-14-8-7-13-19(20)12-6-4-2-1-3-5-10-16-23-21-15-9-11-17-24-21/h2,4,7-8,13-14,21H,5,9-11,15-17H2/b4-2-
InChIKey UDWDKGPJYSPQCD-RQOWECAXSA-N
Molecular Weight 319.404 g/mol
SMILES C(#Cc1c(C#N)cccc1)\C=C/C#CCCCOC1OCCCC1
SPLASH splash10-014u-0390000000-6d550f68a5e0bdc67f05
Source of Spectrum J-67-5910-1
Synonyms 2-[(Z)-9-(2-oxanyloxy)non-3-en-1,5-diynyl]benzonitrile 2-[(Z)-9-(oxan-2-yloxy)non-3-en-1,5-diynyl]benzonitrile 2-[(Z)-9-(oxan-2-yloxy)non-3-en-1,5-diynyl]benzenecarbonitrile
Wiley ID 1570637