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1H-isoindole-1,3(2H)-dione, hexahydro-2-[4-(1-methyl-2-oxo-2-phenylethoxy)phenyl]-
SpectraBase Compound ID 1eFbm7uziZF
InChI InChI=1S/C23H23NO4/c1-15(21(25)16-7-3-2-4-8-16)28-18-13-11-17(12-14-18)24-22(26)19-9-5-6-10-20(19)23(24)27/h2-4,7-8,11-15,19-20H,5-6,9-10H2,1H3
InChIKey RUSCUVQYCZBSJI-UHFFFAOYSA-N
Mol Weight 377.44 g/mol
Molecular Formula C23H23NO4
Exact Mass 377.162708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EgTUQ7aUZSK
Name 1H-Isoindole-1,3(2H)-dione, hexahydro-2-[4-(1-methyl-2-oxo-2-phenylethoxy)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.162708221 u
Formula C23H23NO4
InChI InChI=1S/C23H23NO4/c1-15(21(25)16-7-3-2-4-8-16)28-18-13-11-17(12-14-18)24-22(26)19-9-5-6-10-20(19)23(24)27/h2-4,7-8,11-15,19-20H,5-6,9-10H2,1H3
InChIKey RUSCUVQYCZBSJI-UHFFFAOYSA-N
Molecular Weight 377.440 g/mol
SMILES C1=CC=C(C(C(OC2=CC=C(N3C(C4CCCCC4C3=O)=O)C=C2)C)=O)C=C1