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(E,1'R*, 3'S*,4'S*)-4-(3',4'-Epoxy-1',6',6'-trimethyl-2'-methylidene-1'-cyclohexyl)-3-buten-2-one
SpectraBase Compound ID FfmTcEIQPHt
InChI InChI=1S/C14H20O2/c1-9(15)6-7-14(5)10(2)12-11(16-12)8-13(14,3)4/h6-7,11-12H,2,8H2,1,3-5H3/b7-6+/t11-,12-,14-/m0/s1
InChIKey NSEXJBJFGMTUKI-BFVVBRNTSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25cH9QlMuaM
Name (E,1'R*, 3'S*,4'S*)-4-(3',4'-Epoxy-1',6',6'-trimethyl-2'-methylidene-1'-cyclohexyl)-3-buten-2-one
CAS Registry Number 88354-69-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-9(15)6-7-14(5)10(2)12-11(16-12)8-13(14,3)4/h6-7,11-12H,2,8H2,1,3-5H3/b7-6+/t11-,12-,14-/m0/s1
InChIKey NSEXJBJFGMTUKI-BFVVBRNTSA-N
Molecular Weight 220.312 g/mol
SMILES [C@@]12(O[C@]2(CC([C@](C1=C)(\C=C\C(=O)C)C)(C)C)[H])[H]
SPLASH splash10-00di-2900000000-df41a3f55a8001a92908
Source of Spectrum H-66-1653-36
Synonyms (E)-4-(3,4,4-Trimethyl-2-methylene-7-oxa-bicyclo[4.1.0]hept-3-yl)-but-3-en-2-one
Wiley ID 1220111