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2-chloro-5-[5-({2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-1H-tetraazol-1-yl]benzoic acid
SpectraBase Compound ID 8VJjXlxuspI
InChI InChI=1S/C18H14ClN5O5S/c1-29-17(28)11-4-2-3-5-14(11)20-15(25)9-30-18-21-22-23-24(18)10-6-7-13(19)12(8-10)16(26)27/h2-8H,9H2,1H3,(H,20,25)(H,26,27)
InChIKey BJFRPEURJMBMTO-UHFFFAOYSA-N
Mol Weight 447.85 g/mol
Molecular Formula C18H14ClN5O5S
Exact Mass 447.040417 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1LVdogvp3Oa
Name 2-chloro-5-[5-({2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-1H-tetraazol-1-yl]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/C18H14ClN5O5S/c1-29-17(28)11-4-2-3-5-14(11)20-15(25)9-30-18-21-22-23-24(18)10-6-7-13(19)12(8-10)16(26)27/h2-8H,9H2,1H3,(H,20,25)(H,26,27)
InChIKey BJFRPEURJMBMTO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22314
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: D58588; Labnumber: SPLUK-0899; SBI_ID: SBI-022318
Temperature 318 °C