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1(3H)-Isobenzofuranone, 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-
SpectraBase Compound ID 7UBwu9uC0vo
InChI InChI=1S/C17H12O5/c18-13(10-5-6-14-16(7-10)21-9-20-14)8-15-11-3-1-2-4-12(11)17(19)22-15/h1-7,15H,8-9H2
InChIKey NHULEJBQQJQFCS-UHFFFAOYSA-N
Mol Weight 296.28 g/mol
Molecular Formula C17H12O5
Exact Mass 296.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJyChmsPBxP
Name 1(3H)-Isobenzofuranone, 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-
Alternate Name(s) 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3H-isobenzofuran-1-one 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3H-2-benzofuran-1-one 3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-3H-isobenzofuran-1-one 3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one
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Formula C17H12O5
InChI InChI=1S/C17H12O5/c18-13(10-5-6-14-16(7-10)21-9-20-14)8-15-11-3-1-2-4-12(11)17(19)22-15/h1-7,15H,8-9H2
InChIKey NHULEJBQQJQFCS-UHFFFAOYSA-N
Molecular Weight 296.278 g/mol
SMILES C(C1OC(c2c1cccc2)=O)C(c1cc2c(cc1)OCO2)=O
SPLASH splash10-0002-3910000000-f904345b0b9eecb5f294
Source of Spectrum IY-1-4379-0
Wiley ID 1651773