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homocysteine, N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-S-methyl-
SpectraBase Compound ID BX62G6IPTf
InChI InChI=1S/C11H13N3O4S3/c1-19-6-5-8(11(15)16)14-21(17,18)9-4-2-3-7-10(9)13-20-12-7/h2-4,8,14H,5-6H2,1H3,(H,15,16)
InChIKey SUDACGGCBAXTTK-UHFFFAOYSA-N
Mol Weight 347.42 g/mol
Molecular Formula C11H13N3O4S3
Exact Mass 347.006819 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H8PmWNPelqO
Name homocysteine, N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-S-methyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.006819429 u
Formula C11H13N3O4S3
InChI InChI=1S/C11H13N3O4S3/c1-19-6-5-8(11(15)16)14-21(17,18)9-4-2-3-7-10(9)13-20-12-7/h2-4,8,14H,5-6H2,1H3,(H,15,16)
InChIKey SUDACGGCBAXTTK-UHFFFAOYSA-N
Molecular Weight 347.422 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13355
Solvent DMSO-d6
Source Vendor ID: NMR/10231731; Lab Info: DS; Lab Number: DS-Z001135