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1-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}indoline
SpectraBase Compound ID IACDUcNXST3
InChI InChI=1S/C13H14N4OS/c1-9-14-13(16-15-9)19-8-12(18)17-7-6-10-4-2-3-5-11(10)17/h2-5H,6-8H2,1H3,(H,14,15,16)
InChIKey AMGIERXBNXMGNZ-UHFFFAOYSA-N
Mol Weight 274.34 g/mol
Molecular Formula C13H14N4OS
Exact Mass 274.088832 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6aUhv7YYrzF
Name 1-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}indoline
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/C13H14N4OS/c1-9-14-13(16-15-9)19-8-12(18)17-7-6-10-4-2-3-5-11(10)17/h2-5H,6-8H2,1H3,(H,14,15,16)
InChIKey AMGIERXBNXMGNZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12886
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: D76807; Labnumber: VGU-30388; SBI_ID: SBI-012889
Synonyms 2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl 5-methyl-4H-1,2,4-triazol-3-yl sulfide
Temperature 318 °C