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5,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
SpectraBase Compound ID 9DX2E9bjjeQ
InChI InChI=1S/C10H12O3/c1-5-3-7-8(4-6(5)2)10(12)13-9(7)11/h7-8H,3-4H2,1-2H3
InChIKey UJYUDTPLHOZSGT-UHFFFAOYSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5AxkRBJzff7
Name 5,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Alternate Name(s) 4,5-Dimethyl-4-cyclohexene-1,2-dicarboxylic anhydride 5,6-Dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione 5,6-Dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-quinone
CAS Registry Number 5438-24-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-5-3-7-8(4-6(5)2)10(12)13-9(7)11/h7-8H,3-4H2,1-2H3
InChIKey UJYUDTPLHOZSGT-UHFFFAOYSA-N
Molecular Weight 180.203 g/mol
SMILES C1(=O)C2C(CC(=C(C2)C)C)C(O1)=O
SPLASH splash10-052f-9400000000-eec1c4895d68216d3559
Source of Spectrum OS-5-509-0
Wiley ID 1176182