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1-Benzoxirene-2,5-dione, 4-(3-oxobutyl)hexahydro-3,3,4-trimethyl
SpectraBase Compound ID FgoNb4q3EWQ
InChI InChI=1S/C13H18O4/c1-7(14)5-6-13(4)11(16)9-8(17-9)10(15)12(13,2)3/h8-9H,5-6H2,1-4H3
InChIKey WICCRSLJPMTZJK-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKswqPpo9ZU
Name 1-Benzoxirene-2,5-dione, 4-(3-oxobutyl)hexahydro-3,3,4-trimethyl
Alternate Name(s) 3,3,4-trimethyl-4-(3-oxidanylidenebutyl)-7-oxabicyclo[4.1.0]heptane-2,5-dione 3,3,4-Trimethyl-4-(3-oxobutyl)-7-oxabicyclo[4.1.0]heptane-2,5-dione 4-(3-ketobutyl)-3,3,4-trimethyl-7-oxabicyclo[4.1.0]heptane-2,5-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-7(14)5-6-13(4)11(16)9-8(17-9)10(15)12(13,2)3/h8-9H,5-6H2,1-4H3
InChIKey WICCRSLJPMTZJK-UHFFFAOYSA-N
Molecular Weight 238.283 g/mol
SMILES C12C(=O)C(C(C(=O)C2O1)(CCC(=O)C)C)(C)C
SPLASH splash10-0006-9300000000-a345bfe02d90913e79da
Wiley ID 1478420