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methyl 4-({[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
SpectraBase Compound ID HAqHVYx6WXK
InChI InChI=1S/C14H16N4O3S/c1-3-11-16-14(18-17-11)22-8-12(19)15-10-6-4-9(5-7-10)13(20)21-2/h4-7H,3,8H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKey LDCQPOYNTAMVLY-UHFFFAOYSA-N
Mol Weight 320.37 g/mol
Molecular Formula C14H16N4O3S
Exact Mass 320.094312 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FV6lvxT1LIz
Name methyl 4-({[(5-ethyl-4H-1,2,4-triazol-3-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/C14H16N4O3S/c1-3-11-16-14(18-17-11)22-8-12(19)15-10-6-4-9(5-7-10)13(20)21-2/h4-7H,3,8H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKey LDCQPOYNTAMVLY-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9105
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: D52510; Labnumber: NNOBK-5458; SBI_ID: SBI-009108
Temperature 306 °C