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4,7-Ethanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)-, (3a.alpha.,4.alpha.,7.beta.,7a.alpha.)-

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

4,7-Ethanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)-, (3a.alpha.,4.alpha.,7.beta.,7a.alpha.)-
SpectraBase Compound ID GTvvxVCSLpU
InChI InChI=1S/C14H18O3/c1-8(2)14-6-4-13(3,5-7-14)9-10(14)12(16)17-11(9)15/h4,6,8-10H,5,7H2,1-3H3/t9-,10+,13-,14-/m0/s1
InChIKey ZGACYOKNEKDSNK-DJBIQUGXSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hnh9q9uMMD6
Name 4,7-Ethanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)-, (3a.alpha.,4.alpha.,7.beta.,7a.alpha.)-
CAS Registry Number 39900-48-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-8(2)14-6-4-13(3,5-7-14)9-10(14)12(16)17-11(9)15/h4,6,8-10H,5,7H2,1-3H3/t9-,10+,13-,14-/m0/s1
InChIKey ZGACYOKNEKDSNK-DJBIQUGXSA-N
Molecular Weight 234.295 g/mol
SMILES C1([C@@]2([C@]3(C=C[C@]([C@]2([H])C(O1)=O)(CC3)C)C(C)C)[H])=O
SPLASH splash10-0udj-4900000000-e4ed6d0179eb21a8cfa3
Source of Spectrum O-24-39-0
Synonyms exo-1-methyl-4-isopropyl-bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride (1S,2S,6R,7R)-1-isopropyl-7-methyl-4-oxatricyclo[5.2.2.0(2,6)]undec-8-ene-3,5-dione endo-1-methyl-4-isopropyl-bicyclo[2.2.2]octa-5-ene-2,3-dicarboxylic anhydride
Wiley ID 1236146