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(Z)-.alpha.-(1-Hexylpentylidene)-.beta.-(n-pentyl)-.beta.-lactone
SpectraBase Compound ID 9zfjIjzOx4u
InChI InChI=1S/C19H30O2/c1-4-7-10-12-14-16(13-9-6-3)18-17(21-19(18)20)15-11-8-5-2/h17H,4-11,13,15H2,1-3H3/b18-16-
InChIKey JSBTYAUPQOBQKG-VLGSPTGOSA-N
Mol Weight 290.45 g/mol
Molecular Formula C19H30O2
Exact Mass 290.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1lUXAqCd9Y3
Name (Z)-.alpha.-(1-Hexylpentylidene)-.beta.-(n-pentyl)-.beta.-lactone
Alternate Name(s) (3Z)-4-pentyl-3-undec-6-yn-5-ylidene-2-oxetanone (3Z)-4-pentyl-3-undec-6-yn-5-ylideneoxetan-2-one (3Z)-3-(1-butylhept-2-ynylidene)-4-pentyl-oxetan-2-one (3Z)-4-pentyl-3-undec-6-yn-5-ylidene-oxetan-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C19H30O2
InChI InChI=1S/C19H30O2/c1-4-7-10-12-14-16(13-9-6-3)18-17(21-19(18)20)15-11-8-5-2/h17H,4-11,13,15H2,1-3H3/b18-16-
InChIKey JSBTYAUPQOBQKG-VLGSPTGOSA-N
Molecular Weight 290.447 g/mol
SMILES C1(\C(C(O1)CCCCC)=C/(C#CCCCC)CCCC)=O
SPLASH splash10-014i-0090000000-7d8225182b7a5d9c8502
Source of Spectrum F-70-2575-8
Wiley ID 1596649