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4-[(1'R,2'S,4'R)-1',2'-Epoxy-4'-hydroxy-2',6',6'-trimethylcyclohex-1'-enyl]-butan-2-one
SpectraBase Compound ID 1guLhU8BMOy
InChI InChI=1S/C13H22O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h10,15H,5-8H2,1-4H3/t10-,12+,13-/m1/s1
InChIKey MGKOACLXSRRQGD-KGYLQXTDSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FBX4yWXN8Wv
Name 4-[(1'R,2'S,4'R)-1',2'-Epoxy-4'-hydroxy-2',6',6'-trimethylcyclohex-1'-enyl]-butan-2-one
Alternate Name(s) 4-[(1R,4R,6S)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-2-butanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h10,15H,5-8H2,1-4H3/t10-,12+,13-/m1/s1
InChIKey MGKOACLXSRRQGD-KGYLQXTDSA-N
Molecular Weight 226.316 g/mol
SMILES O[C@@]1(CC([C@@]2([C@@](C1)(C)O2)CCC(=O)C)(C)C)[H]
SPLASH splash10-0006-9010000000-3881389b68495c9dd42e
Source of Spectrum SB-47-1212-14
Wiley ID 1227630