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2-(3-Hydroxypropyl)-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione

View entire compound with spectra: 1 NMR, and 1 FTIR

2-(3-Hydroxypropyl)-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID 9XpFsIGW4fh
InChI InChI=1S/C17H14N2O6/c20-9-1-8-18-16(21)14-7-6-13(10-15(14)17(18)22)25-12-4-2-11(3-5-12)19(23)24/h2-7,10,20H,1,8-9H2
InChIKey CFKSLSCNQRNFDW-UHFFFAOYSA-N
Mol Weight 342.31 g/mol
Molecular Formula C17H14N2O6
Exact Mass 342.085186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HiA7Yxp02WZ
Name 2-(3-Hydroxypropyl)-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.085186173 u
Formula C17H14N2O6
InChI InChI=1S/C17H14N2O6/c20-9-1-8-18-16(21)14-7-6-13(10-15(14)17(18)22)25-12-4-2-11(3-5-12)19(23)24/h2-7,10,20H,1,8-9H2
InChIKey CFKSLSCNQRNFDW-UHFFFAOYSA-N
Molecular Weight 342.307 g/mol
SMILES C1(N(=O)=O)=CC=C(C=C1)OC1=CC2=C(C=C1)C(=O)N(C2=O)CCCO