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[3a,7a-13C2]-4-phenylisobenzofuran-1,3-dione
SpectraBase Compound ID GubpoK1RhYk
InChI InChI=1S/C14H8O3/c15-13-11-8-4-7-10(12(11)14(16)17-13)9-5-2-1-3-6-9/h1-8H/i11+1,12+1
InChIKey VETOZLDSVKEYKO-ALQHTKJJSA-N
Mol Weight 226.2 g/mol
Molecular Formula C1213C2H8O3
Exact Mass 226.054054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9eBkXQptt7D
Name [3a,7a-13C2]-4-phenylisobenzofuran-1,3-dione
Alternate Name(s) [2,3-13C2]-1,1'-Biphenyl-2,3-dicarboxylic acid-anhydride
Comments Original formula: C12[13C]2H8O3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8O3
InChI InChI=1S/C14H8O3/c15-13-11-8-4-7-10(12(11)14(16)17-13)9-5-2-1-3-6-9/h1-8H/i11+1,12+1
InChIKey VETOZLDSVKEYKO-ALQHTKJJSA-N
Molecular Weight 226.200 g/mol
SMILES C1([13c]2[13c](C(O1)=O)cccc2-c1ccccc1)=O
SPLASH splash10-0ugi-1920000000-e846a88f579806119615
Source of Spectrum B-50-1179-3
Wiley ID 745484