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3-({[({1-[4-(methoxycarbonyl)phenyl]-1H-tetraazol-5-yl}sulfanyl)acetyl]amino}methyl)benzoic acid
SpectraBase Compound ID C5LXrVmPQ2g
InChI InChI=1S/C19H17N5O5S/c1-29-18(28)13-5-7-15(8-6-13)24-19(21-22-23-24)30-11-16(25)20-10-12-3-2-4-14(9-12)17(26)27/h2-9H,10-11H2,1H3,(H,20,25)(H,26,27)
InChIKey XEMKMVJECJZREN-UHFFFAOYSA-N
Mol Weight 427.44 g/mol
Molecular Formula C19H17N5O5S
Exact Mass 427.09504 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GVHFJIhmnan
Name 3-({[({1-[4-(methoxycarbonyl)phenyl]-1H-tetraazol-5-yl}sulfanyl)acetyl]amino}methyl)benzoic acid
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/C19H17N5O5S/c1-29-18(28)13-5-7-15(8-6-13)24-19(21-22-23-24)30-11-16(25)20-10-12-3-2-4-14(9-12)17(26)27/h2-9H,10-11H2,1H3,(H,20,25)(H,26,27)
InChIKey XEMKMVJECJZREN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22303
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: D58576; Labnumber: SPLUK-0858; SBI_ID: SBI-022307
Temperature 318 °C