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methyl (2-benzyl-1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetate

View entire compound with spectra: 2 NMR

methyl (2-benzyl-1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetate
SpectraBase Compound ID BWYSIKY60eG
InChI InChI=1S/C18H17NO4/c1-23-16(20)11-18(22)15-10-6-5-9-14(15)17(21)19(18)12-13-7-3-2-4-8-13/h2-10,22H,11-12H2,1H3
InChIKey SQXUFNXWXDGSII-UHFFFAOYSA-N
Mol Weight 311.34 g/mol
Molecular Formula C18H17NO4
Exact Mass 311.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6foskrNqT5J
Name Methyl (2-benzyl-1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.115758027 u
Formula C18H17NO4
InChI InChI=1S/C18H17NO4/c1-23-16(20)11-18(22)15-10-6-5-9-14(15)17(21)19(18)12-13-7-3-2-4-8-13/h2-10,22H,11-12H2,1H3
InChIKey SQXUFNXWXDGSII-UHFFFAOYSA-N
Molecular Weight 311.337 g/mol
SMILES OC1(N(C(C2=CC=CC=C12)=O)CC=1C=CC=CC1)CC(=O)OC