For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
6-(4-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoic acid, tms derivative
SpectraBase Compound ID BCubyISEmn5
InChI InChI=1S/C17H22N2O6Si/c1-26(2,3)25-14(20)10-5-4-6-11-18-16(21)12-8-7-9-13(19(23)24)15(12)17(18)22/h7-9H,4-6,10-11H2,1-3H3
InChIKey KWSIRUXYXKLMRR-UHFFFAOYSA-N
Mol Weight 378.46 g/mol
Molecular Formula C17H22N2O6Si
Exact Mass 378.124713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 68bDEVScBZf
Name 6-(4-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoic acid, tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.124712965 u
Formula C17H22N2O6Si
InChI InChI=1S/C17H22N2O6Si/c1-26(2,3)25-14(20)10-5-4-6-11-18-16(21)12-8-7-9-13(19(23)24)15(12)17(18)22/h7-9H,4-6,10-11H2,1-3H3
InChIKey KWSIRUXYXKLMRR-UHFFFAOYSA-N
Molecular Weight 378.456 g/mol
SMILES C1(N(=O)=O)=C2C(=CC=C1)C(=O)N(C2=O)CCCCCC(=O)O[Si](C)(C)C