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3-Penten-2-one, 4-(1,3,3-trimethyl-7-oxabicyclo[4.1.0]hept-2-yl)-, [1.alpha.,2.beta.(Z),6.alpha.]-(.+-.)-
SpectraBase Compound ID 8i1RzfKIUzN
InChI InChI=1S/C14H22O2/c1-9(8-10(2)15)12-13(3,4)7-6-11-14(12,5)16-11/h8,11-12H,6-7H2,1-5H3/b9-8-/t11-,12+,14-/m1/s1
InChIKey YRMBTCBWYUKHQL-ZNUUKHFWSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1v121vNU706
Name 3-Penten-2-one, 4-(1,3,3-trimethyl-7-oxabicyclo[4.1.0]hept-2-yl)-, [1.alpha.,2.beta.(Z),6.alpha.]-(.+-.)-
CAS Registry Number 97371-46-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-9(8-10(2)15)12-13(3,4)7-6-11-14(12,5)16-11/h8,11-12H,6-7H2,1-5H3/b9-8-/t11-,12+,14-/m1/s1
InChIKey YRMBTCBWYUKHQL-ZNUUKHFWSA-N
Molecular Weight 222.328 g/mol
SMILES [C@@]12(O[C@@]2(CCC([C@@]1(\C(=C/C(=O)C)C)[H])(C)C)[H])C
SPLASH splash10-00di-3910000000-8baf463ef8313af56e88
Source of Spectrum H-68-199-0
Synonyms 7-Oxabicyclo[4.1.0]heptane, 3-penten-2-one deriv. (3Z)-4-[(1S,2R,6R)-1,3,3-trimethyl-7-oxabicyclo[4.1.0]hept-2-yl]-3-penten-2-one (Z,1'RS,2'SR,3'RS)-4-(2',3',-epoxy-2',6',6'-trimethylcyclohexyl)-3-penten-2-one
Wiley ID 1222903