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2-[(2Z,5Z)-2,5-Octadienyl]-3-undecyloxirane
SpectraBase Compound ID HWadU0kavH
InChI InChI=1S/C21H38O/c1-3-5-7-9-11-12-13-15-17-19-21-20(22-21)18-16-14-10-8-6-4-2/h6,8,14,16,20-21H,3-5,7,9-13,15,17-19H2,1-2H3/b8-6-,16-14-/t20-,21+/m0/s1
InChIKey HQCGSJRACGWHOF-AEULXZPHSA-N
Mol Weight 306.5 g/mol
Molecular Formula C21H38O
Exact Mass 306.292266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bU66AyY2G5
Name 2-[(2Z,5Z)-2,5-Octadienyl]-3-undecyloxirane
Alternate Name(s) (2S,3R)-2-[(2Z,5Z)-octa-2,5-dienyl]-3-undecyl-oxirane (9s,10R)-9,10-Epoxy-3Z,6Z-heneicosadiene
CAS Registry Number 81309-90-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O
InChI InChI=1S/C21H38O/c1-3-5-7-9-11-12-13-15-17-19-21-20(22-21)18-16-14-10-8-6-4-2/h6,8,14,16,20-21H,3-5,7,9-13,15,17-19H2,1-2H3/b8-6-,16-14-/t20-,21+/m0/s1
InChIKey HQCGSJRACGWHOF-AEULXZPHSA-N
Molecular Weight 306.534 g/mol
SMILES [C@@]1(O[C@@]1(CCCCCCCCCCC)[H])(C\C=C/C\C=C/CC)[H]
SPLASH splash10-0a6r-9400000000-10166546b782c4c94341
Source of Spectrum F-42-3477-2
Wiley ID 1308658