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1H-isoindole-1,3(2H)-dione, hexahydro-2-[4-(phenylmethoxy)phenyl]-

View entire compound with spectra: 2 NMR

1H-isoindole-1,3(2H)-dione, hexahydro-2-[4-(phenylmethoxy)phenyl]-
SpectraBase Compound ID 75ZAaa0s6B6
InChI InChI=1S/C21H21NO3/c23-20-18-8-4-5-9-19(18)21(24)22(20)16-10-12-17(13-11-16)25-14-15-6-2-1-3-7-15/h1-3,6-7,10-13,18-19H,4-5,8-9,14H2
InChIKey LLUKAUHZYSEOJR-UHFFFAOYSA-N
Mol Weight 335.4 g/mol
Molecular Formula C21H21NO3
Exact Mass 335.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3x7XVXeWPE1
Name 1H-Isoindole-1,3(2H)-dione, hexahydro-2-[4-(phenylmethoxy)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.152143537 u
Formula C21H21NO3
InChI InChI=1S/C21H21NO3/c23-20-18-8-4-5-9-19(18)21(24)22(20)16-10-12-17(13-11-16)25-14-15-6-2-1-3-7-15/h1-3,6-7,10-13,18-19H,4-5,8-9,14H2
InChIKey LLUKAUHZYSEOJR-UHFFFAOYSA-N
Molecular Weight 335.403 g/mol
SMILES C1=CC=C(COC=2C=CC(N3C(C4CCCCC4C3=O)=O)=CC2)C=C1