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3-Nitro-2-phenylpropyl benzenesulfonate

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3-Nitro-2-phenylpropyl benzenesulfonate
SpectraBase Compound ID HJyjJgDv0vo
InChI InChI=1S/C15H15NO5S/c17-16(18)11-14(13-7-3-1-4-8-13)12-21-22(19,20)15-9-5-2-6-10-15/h1-10,14H,11-12H2
InChIKey INNMVQLCSBVBHB-UHFFFAOYSA-N
Mol Weight 321.35 g/mol
Molecular Formula C15H15NO5S
Exact Mass 321.067094 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ecxp7Jc4oA0
Name benzeneethanol, beta-(nitromethyl)-, benzenesulfonate (ester)
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/C15H15NO5S/c17-16(18)11-14(13-7-3-1-4-8-13)12-21-22(19,20)15-9-5-2-6-10-15/h1-10,14H,11-12H2
InChIKey INNMVQLCSBVBHB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_7017
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: ZI/5027867; IOH_ID: IOH-014021