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2-Butanone, 4-(5-hydroxy-2,2-dimethyl-6-methylenecyclohexylidene)-3-methyl-, [R*,S*-(E)]-(.+-.)-
SpectraBase Compound ID LYrXNoIBs9Z
InChI InChI=1S/C14H22O2/c1-9(11(3)15)8-12-10(2)13(16)6-7-14(12,4)5/h8-9,13,16H,2,6-7H2,1,3-5H3/b12-8-
InChIKey XCNGOAWINJKJJP-WQLSENKSSA-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 ARtqoD4sCZJ
Name 2-Butanone, 4-(5-hydroxy-2,2-dimethyl-6-methylenecyclohexylidene)-3-methyl-, [R*,S*-(E)]-(.+-.)-
CAS Registry Number 97306-69-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-9(11(3)15)8-12-10(2)13(16)6-7-14(12,4)5/h8-9,13,16H,2,6-7H2,1,3-5H3/b12-8-
InChIKey XCNGOAWINJKJJP-WQLSENKSSA-N
Molecular Weight 222.328 g/mol
SMILES OC1C(\C(=C\C(C(=O)C)C)C(CC1)(C)C)=C
SPLASH splash10-0a4l-4900000000-cc4395d22fa166c806c9
Source of Spectrum H-68-203-15
Synonyms (Z)-4-(3'-hydroxy-6',6'-dimethyl-2'-methylidenecyclohexylidene)-3-methyl-2-butanone (4E)-4-(5-hydroxy-2,2-dimethyl-6-methylenecyclohexylidene)-3-methyl-2-butanone (E)-4-(3'-hydroxy-6',6'-dimethyl-2'-methylidenecyclohexylidene)-3-methyl-2-butanone
Wiley ID 1222910