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3a,4,5,6-tetrahydro-2-benzofuran-1,3-dione
SpectraBase Compound ID 8j6nDCPgGhM
InChI InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h3,6H,1-2,4H2
InChIKey XVGQCWWUXBWHHZ-UHFFFAOYSA-N
Mol Weight 152.15 g/mol
Molecular Formula C8H8O3
Exact Mass 152.047344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CElDypwObxb
Name 3a,4,5,6-tetrahydro-2-benzofuran-1,3-dione
Alternate Name(s) 3a,4,5,6-tetrahydroisobenzofuran-1,3-dione 3a,4,5,6-tetrahydroisobenzofuran-1,3-quinone
CAS Registry Number 4717-57-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8O3
InChI InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h3,6H,1-2,4H2
InChIKey XVGQCWWUXBWHHZ-UHFFFAOYSA-N
Molecular Weight 152.149 g/mol
SMILES C1(OC(C2CCCC=C12)=O)=O
SPLASH splash10-004i-9200000000-32936753c0a250a2e531
Source of Spectrum AA-0-903-2
Wiley ID 1148785