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1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,5-dimethyl-
SpectraBase Compound ID 8u9itt7sqZn
InChI InChI=1S/C10H12O3/c1-5-3-4-7-8(6(5)2)10(12)13-9(7)11/h3,6-8H,4H2,1-2H3
InChIKey JTQIJOSTTCDFGH-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 IhjBqGOKw5M
Name 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,5-dimethyl-
Alternate Name(s) 4,5-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione 4,5-Dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione 4,5-Dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-quinone
CAS Registry Number 66491-67-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-5-3-4-7-8(6(5)2)10(12)13-9(7)11/h3,6-8H,4H2,1-2H3
InChIKey JTQIJOSTTCDFGH-UHFFFAOYSA-N
Molecular Weight 180.203 g/mol
SMILES CC1C(=CCC2C1C(=O)OC2=O)C
SPLASH splash10-052f-9500000000-baf35ae3081c7edfd5f8
Wiley ID 1489495