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1H-benzimidazole-1-acetic acid, 2-[(2-amino-2-oxoethyl)sulfonyl]-,methyl ester
SpectraBase Compound ID 6ptCkpQa3ir
InChI InChI=1S/C12H13N3O5S/c1-20-11(17)6-15-9-5-3-2-4-8(9)14-12(15)21(18,19)7-10(13)16/h2-5H,6-7H2,1H3,(H2,13,16)
InChIKey HIASJXVQVXOFEF-UHFFFAOYSA-N
Mol Weight 311.31 g/mol
Molecular Formula C12H13N3O5S
Exact Mass 311.057592 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2QPrkapvAwZ
Name 1H-benzimidazole-1-acetic acid, 2-[(2-amino-2-oxoethyl)sulfonyl]-,methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.057591700 u
Formula C12H13N3O5S
InChI InChI=1S/C12H13N3O5S/c1-20-11(17)6-15-9-5-3-2-4-8(9)14-12(15)21(18,19)7-10(13)16/h2-5H,6-7H2,1H3,(H2,13,16)
InChIKey HIASJXVQVXOFEF-UHFFFAOYSA-N
Molecular Weight 311.312 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6597
Solvent DMSO-d6
Source Vendor ID: NMR/13301160; Lab Info: LP; Lab Number: 3702075