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phenol, 2-[4-(1,3-benzodioxol-5-ylmethyl)-5-mercapto-4H-1,2,4-triazol-3-yl]-
SpectraBase Compound ID CxxyMN424Jx
InChI InChI=1S/C16H13N3O3S/c20-12-4-2-1-3-11(12)15-17-18-16(23)19(15)8-10-5-6-13-14(7-10)22-9-21-13/h1-7,20H,8-9H2,(H,18,23)
InChIKey LAMLRUWKJDJKTH-UHFFFAOYSA-N
Mol Weight 327.36 g/mol
Molecular Formula C16H13N3O3S
Exact Mass 327.067762 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GFtQXOAmqtz
Name phenol, 2-[4-(1,3-benzodioxol-5-ylmethyl)-5-mercapto-4H-1,2,4-triazol-3-yl]-
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/C16H13N3O3S/c20-12-4-2-1-3-11(12)15-17-18-16(23)19(15)8-10-5-6-13-14(7-10)22-9-21-13/h1-7,20H,8-9H2,(H,18,23)
InChIKey LAMLRUWKJDJKTH-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6028
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: F26754; Labnumber: NNOBK-9345