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methyl 2-{[({1-[4-(aminocarbonyl)phenyl]-1H-tetraazol-5-yl}sulfanyl)acetyl]amino}benzoate
SpectraBase Compound ID GlT5jGYKbDO
InChI InChI=1S/C18H16N6O4S/c1-28-17(27)13-4-2-3-5-14(13)20-15(25)10-29-18-21-22-23-24(18)12-8-6-11(7-9-12)16(19)26/h2-9H,10H2,1H3,(H2,19,26)(H,20,25)
InChIKey XYJZXWZYUHBYLT-UHFFFAOYSA-N
Mol Weight 412.42 g/mol
Molecular Formula C18H16N6O4S
Exact Mass 412.095374 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Atc15EIqeLr
Name methyl 2-{[({1-[4-(aminocarbonyl)phenyl]-1H-tetraazol-5-yl}sulfanyl)acetyl]amino}benzoate
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/C18H16N6O4S/c1-28-17(27)13-4-2-3-5-14(13)20-15(25)10-29-18-21-22-23-24(18)12-8-6-11(7-9-12)16(19)26/h2-9H,10H2,1H3,(H2,19,26)(H,20,25)
InChIKey XYJZXWZYUHBYLT-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_1943
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: NMR/9273653; Labnumber: LP-3701040
Temperature 297 °C