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9aIN6RI4Rza
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9aIN6RI4Rza
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1H NMR
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1H Nuclear Magnetic Resonance (NMR) Spectrum
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phenol, 2-[4-(1,3-benzodioxol-5-ylmethyl)-5-mercapto-4H-1,2,4-triazol-3-yl]-4-chloro-
SpectraBase Compound ID Li6YYza7DDQ
InChI InChI=1S/C16H12ClN3O3S/c17-10-2-3-12(21)11(6-10)15-18-19-16(24)20(15)7-9-1-4-13-14(5-9)23-8-22-13/h1-6,21H,7-8H2,(H,19,24)
InChIKey QVMDCEBFMVYUQM-UHFFFAOYSA-N
Mol Weight 361.8 g/mol
Molecular Formula C16H12ClN3O3S
Exact Mass 361.02879 g/mol
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1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9aIN6RI4Rza
Name phenol, 2-[4-(1,3-benzodioxol-5-ylmethyl)-5-mercapto-4H-1,2,4-triazol-3-yl]-4-chloro-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H12ClN3O3S/c17-10-2-3-12(21)11(6-10)15-18-19-16(24)20(15)7-9-1-4-13-14(5-9)23-8-22-13/h1-6,21H,7-8H2,(H,19,24)
InChIKey QVMDCEBFMVYUQM-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6030
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: F26756; Labnumber: NNOBK-9347
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