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

*Links on SpectraBase are not permalinks.

4-[(1,3-Benzodioxol-5-ylmethyl)amino]benzoic acid, tms derivative

View entire compound with spectra: 1 NMR

4-[(1,3-Benzodioxol-5-ylmethyl)amino]benzoic acid, tms derivative
SpectraBase Compound ID 7Pd8f6GLpZg
InChI InChI=1S/C18H21NO4Si/c1-24(2,3)23-18(20)14-5-7-15(8-6-14)19-11-13-4-9-16-17(10-13)22-12-21-16/h4-10,19H,11-12H2,1-3H3
InChIKey WSPVTPFMZSQNLT-UHFFFAOYSA-N
Mol Weight 343.45 g/mol
Molecular Formula C18H21NO4Si
Exact Mass 343.123985 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 GLrcj8Ofo4v
Name 4-[(1,3-Benzodioxol-5-ylmethyl)amino]benzoic acid, tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.123984691 u
Formula C18H21NO4Si
InChI InChI=1S/C18H21NO4Si/c1-24(2,3)23-18(20)14-5-7-15(8-6-14)19-11-13-4-9-16-17(10-13)22-12-21-16/h4-10,19H,11-12H2,1-3H3
InChIKey WSPVTPFMZSQNLT-UHFFFAOYSA-N
Molecular Weight 343.454 g/mol
SMILES C(NC1=CC=C(C=C1)C(=O)O[Si](C)(C)C)C1=CC2=C(C=C1)OCO2