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2,2-Dimethyl-5-(2-oxidanylbut-3-en-2-yl)bicyclo[2.2.2]octan-3-one
SpectraBase Compound ID 3sLjO59fWw4
InChI InChI=1S/C14H22O2/c1-5-14(4,16)11-8-9-6-7-10(11)12(15)13(9,2)3/h5,9-11,16H,1,6-8H2,2-4H3/t9-,10+,11?,14?/m0/s1
InChIKey HJFBEIVNMKGGJC-BLPVREOESA-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 1Cq3KBPLBEk
Name 2,2-Dimethyl-5-(2-oxidanylbut-3-en-2-yl)bicyclo[2.2.2]octan-3-one
CAS Registry Number 111455-40-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-5-14(4,16)11-8-9-6-7-10(11)12(15)13(9,2)3/h5,9-11,16H,1,6-8H2,2-4H3/t9-,10+,11?,14?/m0/s1
InChIKey HJFBEIVNMKGGJC-BLPVREOESA-N
Molecular Weight 222.328 g/mol
SMILES OC(C1[C@@]2(C(C([C@](C1)(CC2)[H])(C)C)=O)[H])(C=C)C
SPLASH splash10-01b9-9300000000-8b45d2505c2bff8c2981
Source of Spectrum AH-117-1410-8
Synonyms 5-(1-hydroxy-1-methyl-allyl)-2,2-dimethyl-bicyclo[2.2.2]octan-3-one 5-(2-hydroxybut-3-en-2-yl)-2,2-dimethyl-3-bicyclo[2.2.2]octanone 5-(2-hydroxybut-3-en-2-yl)-2,2-dimethylbicyclo[2.2.2]octan-3-one 6-(1-Hydroxy-1-methyl-2-propenyl)-3,3-dimethylbicyclo[2.2.2]octan-2-one 6-syn-(1-Hydroxy-1-methylallyl)-3,3-dimethylbicyclo[2.2.2]octan-2-one
Wiley ID 1222883