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4-Cyano-6-heptyl-3-phenyl-1,2-dioxan-3-ol

View entire compound with spectra: 1 MS (GC)

4-Cyano-6-heptyl-3-phenyl-1,2-dioxan-3-ol
SpectraBase Compound ID 2TeBKMXeXez
InChI InChI=1S/C18H25NO3/c1-2-3-4-5-9-12-17-13-16(14-19)18(20,22-21-17)15-10-7-6-8-11-15/h6-8,10-11,16-17,20H,2-5,9,12-13H2,1H3
InChIKey GNNOVWIGZLBCGY-UHFFFAOYSA-N
Mol Weight 303.4 g/mol
Molecular Formula C18H25NO3
Exact Mass 303.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43BtzsZaZE
Name 4-Cyano-6-heptyl-3-phenyl-1,2-dioxan-3-ol
Alternate Name(s) 6-Heptyl-3-hydroxy-3-phenyl-1,2-dioxane-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO3
InChI InChI=1S/C18H25NO3/c1-2-3-4-5-9-12-17-13-16(14-19)18(20,22-21-17)15-10-7-6-8-11-15/h6-8,10-11,16-17,20H,2-5,9,12-13H2,1H3
InChIKey GNNOVWIGZLBCGY-UHFFFAOYSA-N
Molecular Weight 303.402 g/mol
SMILES OC1(OOC(CC1C#N)CCCCCCC)c1ccccc1
SPLASH splash10-0zfu-7980000000-ef241f86120a6c9f5b5d
Source of Spectrum SO-0-906-41
Wiley ID 874781