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1,5-Di-tert-Butyl-8-(2-hydroxyisopropyl)bicyclo[2.2.2]octa-5,7-dien-2,3-dione

View entire compound with spectra: 1 MS (GC)

1,5-Di-tert-Butyl-8-(2-hydroxyisopropyl)bicyclo[2.2.2]octa-5,7-dien-2,3-dione
SpectraBase Compound ID GcAodDQouuP
InChI InChI=1S/C19H28O3/c1-11(10-20)12-8-19(18(5,6)7)9-13(17(2,3)4)14(12)15(21)16(19)22/h8-9,11,14,20H,10H2,1-7H3/t11?,14-,19-/m0/s1
InChIKey XXBYPGIRHTWFJB-MMNKHWDLSA-N
Mol Weight 304.43 g/mol
Molecular Formula C19H28O3
Exact Mass 304.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iws1iqdhnop
Name 1,5-Di-tert-Butyl-8-(2-hydroxyisopropyl)bicyclo[2.2.2]octa-5,7-dien-2,3-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O3
InChI InChI=1S/C19H28O3/c1-11(10-20)12-8-19(18(5,6)7)9-13(17(2,3)4)14(12)15(21)16(19)22/h8-9,11,14,20H,10H2,1-7H3/t11?,14-,19-/m0/s1
InChIKey XXBYPGIRHTWFJB-MMNKHWDLSA-N
Molecular Weight 304.430 g/mol
SMILES OCC(C=1[C@]2(C(=C[C@](C(C2=O)=O)(C1)C(C)(C)C)C(C)(C)C)[H])C
SPLASH splash10-001i-0090000000-747ea0c22d7ef8d4e86f
Source of Spectrum QA-33-75-10
Synonyms 1,5-Di-tert-Butyl-8-(1-methyl-2-hydroxy-ethyl)bicyclo[2.2.2]octa-5,7-dien-2,3-dione 1,5-ditert-butyl-8-(2-hydroxy-1-methylethyl)bicyclo[2.2.2]octa-5,7-diene-2,3-dione
Wiley ID 861033