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XJVDIMLQFRPIMP-UHFFFAOYSA-N
SpectraBase Compound ID Lt5N4HCgHxP
InChI InChI=1S/C9H8O2/c1-6-7-4-2-3-5-8(7)9(10)11-6/h2-6H,1H3
InChIKey XJVDIMLQFRPIMP-UHFFFAOYSA-N
Mol Weight 148.16 g/mol
Molecular Formula C9H8O2
Exact Mass 148.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2ucLOrtO9H
Name 1(3H)-Isobenzofuranone, 3-methyl-
Alternate Name(s) 3-Methyl-1,3-dihydro-1-isobenzofuranone 3-Methyl-1(3H)-isobenzofuranone 3-methyl-2-benzofuran-1(3H)-one 3-methyl-3H-isobenzofuran-1-one 3-methyl-3H-2-benzofuran-1-one 3-Methylphthalide
CAS Registry Number 3453-64-3
Comments Less than 3 mono-isotopic peaks
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Formula C9H8O2
InChI InChI=1S/C9H8O2/c1-6-7-4-2-3-5-8(7)9(10)11-6/h2-6H,1H3
InChIKey XJVDIMLQFRPIMP-UHFFFAOYSA-N
Molecular Weight 148.161 g/mol
SMILES C1(OC(C)c2c1cccc2)=O
SPLASH splash10-001i-0900000000-5da89928555b8bc93f19
Source of Spectrum F-44-2908-10
Wiley ID 1145512