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4-methylbenzenaminium 1-(1H-indol-3-yl)-2-nitroethanesulfonate

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4-methylbenzenaminium 1-(1H-indol-3-yl)-2-nitroethanesulfonate
SpectraBase Compound ID 26yV2Yhd9EW
InChI InChI=1S/C10H10N2O5S.C7H9N/c13-12(14)6-10(18(15,16)17)8-5-11-9-4-2-1-3-7(8)9;1-6-2-4-7(8)5-3-6/h1-5,10-11H,6H2,(H,15,16,17);2-5H,8H2,1H3
InChIKey HHDHBNVXYBYSEJ-UHFFFAOYSA-N
Mol Weight 377.41 g/mol
Molecular Formula C17H19N3O5S
Exact Mass 377.104542 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1GiZBfhwiRl
Name 4-methylbenzenaminium 1-(1H-indol-3-yl)-2-nitroethanesulfonate
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/C10H10N2O5S.C7H9N/c13-12(14)6-10(18(15,16)17)8-5-11-9-4-2-1-3-7(8)9;1-6-2-4-7(8)5-3-6/h1-5,10-11H,6H2,(H,15,16,17);2-5H,8H2,1H3
InChIKey HHDHBNVXYBYSEJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28900
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: D90413; Labnumber: PRZHI-0031; SBI_ID: SBI-028904
Temperature 303 °C