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(2E)-2-[6-(4-hydroxypentyl)-7-oxabicyclo[4.1.0]heptan-2-ylidene]acetonitrile
SpectraBase Compound ID C31Cchj7xqs
InChI InChI=1S/C13H19NO2/c1-10(15)4-2-7-13-8-3-5-11(6-9-14)12(13)16-13/h6,10,12,15H,2-5,7-8H2,1H3/b11-6+
InChIKey ZXYRGJCFUCFXCE-IZZDOVSWSA-N
Mol Weight 221.3 g/mol
Molecular Formula C13H19NO2
Exact Mass 221.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ohpwQ2B5E
Name (2E)-2-[6-(4-hydroxypentyl)-7-oxabicyclo[4.1.0]heptan-2-ylidene]acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c1-10(15)4-2-7-13-8-3-5-11(6-9-14)12(13)16-13/h6,10,12,15H,2-5,7-8H2,1H3/b11-6+
InChIKey ZXYRGJCFUCFXCE-IZZDOVSWSA-N
Molecular Weight 221.300 g/mol
SMILES OC(CCCC12C(\C(=C\C#N)CCC2)O1)C
SPLASH splash10-03y0-3900000000-0b2a70f32efc899c9482
Source of Spectrum F2-43-1626-1
Synonyms (2E)-2-[6-(4-oxidanylpentyl)-7-oxabicyclo[4.1.0]heptan-2-ylidene]ethanenitrile
Wiley ID 1553144