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2-Oxabicyclo[3.2.1]octan-3-one, 8-(2-pentenyl)-, [1S-[1.alpha.,5.alpha.,8S*(Z)]]-
SpectraBase Compound ID JEAJaue9qla
InChI InChI=1S/C12H18O2/c1-2-3-4-5-10-9-6-7-11(10)14-12(13)8-9/h3-4,9-11H,2,5-8H2,1H3/b4-3+/t9-,10+,11-/m0/s1
InChIKey FGQKBLLAYNAHJG-KVNXUHIHSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1wuy77GGAL
Name 2-Oxabicyclo[3.2.1]octan-3-one, 8-(2-pentenyl)-, [1S-[1.alpha.,5.alpha.,8S*(Z)]]-
CAS Registry Number 128820-28-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-2-3-4-5-10-9-6-7-11(10)14-12(13)8-9/h3-4,9-11H,2,5-8H2,1H3/b4-3+/t9-,10+,11-/m0/s1
InChIKey FGQKBLLAYNAHJG-KVNXUHIHSA-N
Molecular Weight 194.274 g/mol
SMILES C1(O[C@@]2([C@@]([C@](C1)(CC2)[H])(C\C=C\CC)[H])[H])=O
SPLASH splash10-0159-9400000000-c59f1e21fa943c876787
Source of Spectrum H-72-1857-9
Synonyms (1S,5S,8R)-8-[(2'Z)-pent-2'-enyl]-2-oxabicyclo[3.2.1]octan-3-one (1S,5S,8R)-8-[(2E)-2-pentenyl]-2-oxabicyclo[3.2.1]octan-3-one
Wiley ID 1191131