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methyl ({2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)acetate
SpectraBase Compound ID B0bDQstKjEv
InChI InChI=1S/C14H15NO6S/c1-8(16)9-3-11-12(21-7-20-11)4-10(9)15-13(17)5-22-6-14(18)19-2/h3-4H,5-7H2,1-2H3,(H,15,17)
InChIKey XPFGAVYFXXTYPA-UHFFFAOYSA-N
Mol Weight 325.34 g/mol
Molecular Formula C14H15NO6S
Exact Mass 325.062008 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ECuKLvUWL2X
Name methyl ({2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)acetate
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/C14H15NO6S/c1-8(16)9-3-11-12(21-7-20-11)4-10(9)15-13(17)5-22-6-14(18)19-2/h3-4H,5-7H2,1-2H3,(H,15,17)
InChIKey XPFGAVYFXXTYPA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18074
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: D31688; Labnumber: VGU-0022148; SBI_ID: SBI-018077
Temperature 318 °C