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3-Oxepanol, 2-(5-hexenyl)-6-(2-hydroxyethylidene)-2-methyl-, (2.alpha.,3.beta.,6E)-(.+-.)-
SpectraBase Compound ID J1mlUTBPIip
InChI InChI=1S/C15H26O3/c1-3-4-5-6-10-15(2)14(17)8-7-13(9-11-16)12-18-15/h3,9,14,16-17H,1,4-8,10-12H2,2H3/b13-9+/t14-,15-/m0/s1
InChIKey LHUIOIWXYLWFSW-FQSSWDBKSA-N
Mol Weight 254.37 g/mol
Molecular Formula C15H26O3
Exact Mass 254.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1WPKsyTbUWl
Name 3-Oxepanol, 2-(5-hexenyl)-6-(2-hydroxyethylidene)-2-methyl-, (2.alpha.,3.beta.,6E)-(.+-.)-
CAS Registry Number 125590-44-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O3
InChI InChI=1S/C15H26O3/c1-3-4-5-6-10-15(2)14(17)8-7-13(9-11-16)12-18-15/h3,9,14,16-17H,1,4-8,10-12H2,2H3/b13-9+/t14-,15-/m0/s1
InChIKey LHUIOIWXYLWFSW-FQSSWDBKSA-N
Molecular Weight 254.370 g/mol
SMILES OC\C=C\1CO[C@]([C@](CC1)(O)[H])(CCCCC=C)C
SPLASH splash10-015f-9100000000-2728ef20972588b6b7c9
Source of Spectrum F-45-3846-20
Synonyms (2S,3S,6E)-2-(5-hexenyl)-6-(2-hydroxyethylidene)-2-methyl-3-oxepanol (6E)(2SR,3RS)-2-(5-hexenyl)-6-(2-hydroxyethylidene)-2-methyl-oxepan-3-ol
Wiley ID 1257953