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1,3-benzodioxole-5-methanaminium, N-[(4-carboxyphenyl)methyl]-, chloride
SpectraBase Compound ID 4iNEga3DxL2
InChI InChI=1S/C16H15NO4.ClH/c18-16(19)13-4-1-11(2-5-13)8-17-9-12-3-6-14-15(7-12)21-10-20-14;/h1-7,17H,8-10H2,(H,18,19);1H
InChIKey HENYCMCTTLZXLR-UHFFFAOYSA-N
Mol Weight 321.76 g/mol
Molecular Formula C16H16ClNO4
Exact Mass 321.076786 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1iWCdZTwiNn
Name 1,3-benzodioxole-5-methanaminium, N-[(4-carboxyphenyl)methyl]-, chloride
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H15NO4.ClH/c18-16(19)13-4-1-11(2-5-13)8-17-9-12-3-6-14-15(7-12)21-10-20-14;/h1-7,17H,8-10H2,(H,18,19);1H
InChIKey HENYCMCTTLZXLR-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_3513
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: F17822; Labnumber: SPHRAM1-29137