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1,3-Dioxo-2-[4-(3,4-xylyloxy)phenyl]-5-isoindolinecarboxylic acid

View entire compound with spectra: 1 NMR, and 2 MS (GC)

1,3-Dioxo-2-[4-(3,4-xylyloxy)phenyl]-5-isoindolinecarboxylic acid
SpectraBase Compound ID Ds386R6DXmc
InChI InChI=1S/C23H17NO5/c1-13-3-7-18(11-14(13)2)29-17-8-5-16(6-9-17)24-21(25)19-10-4-15(23(27)28)12-20(19)22(24)26/h3-12H,1-2H3,(H,27,28)
InChIKey BHPAHHGMQRFMGC-UHFFFAOYSA-N
Mol Weight 387.39 g/mol
Molecular Formula C23H17NO5
Exact Mass 387.110673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FSeARgDUwxg
Name 1,3-Dioxo-2-[4-(3,4-xylyloxy)phenyl]-5-isoindolinecarboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.110672646 u
Formula C23H17NO5
InChI InChI=1S/C23H17NO5/c1-13-3-7-18(11-14(13)2)29-17-8-5-16(6-9-17)24-21(25)19-10-4-15(23(27)28)12-20(19)22(24)26/h3-12H,1-2H3,(H,27,28)
InChIKey BHPAHHGMQRFMGC-UHFFFAOYSA-N
Molecular Weight 387.391 g/mol
SMILES C1=C2C(=CC(=C1)C(O)=O)C(=O)N(C2=O)C1=CC=C(C=C1)OC1=CC(=C(C)C=C1)C