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ethyl (3E)-2-acetyl-4-cyano-4-(phenylsulfonyl)-3-butenoate

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ethyl (3E)-2-acetyl-4-cyano-4-(phenylsulfonyl)-3-butenoate
SpectraBase Compound ID 7dKDASqlllF
InChI InChI=1S/C15H15NO5S/c1-3-21-15(18)14(11(2)17)9-13(10-16)22(19,20)12-7-5-4-6-8-12/h4-9,14H,3H2,1-2H3/b13-9+
InChIKey LXBXIELCTRUCCA-UKTHLTGXSA-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 JkCZ3a2px3Q
Name ethyl (3E)-2-acetyl-4-cyano-4-(phenylsulfonyl)-3-butenoate
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/c1-3-21-15(18)14(11(2)17)9-13(10-16)22(19,20)12-7-5-4-6-8-12/h4-9,14H,3H2,1-2H3/b13-9+
InChIKey LXBXIELCTRUCCA-UKTHLTGXSA-N
NMR Offset 15.2038
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_2480
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/1053325; Labnumber: MSC0024659; IOH_ID: IOH-002481
Synonyms ethyl 2-acetyl-4-cyano-4-(phenylsulfonyl)-3-butenoate
Temperature 303 °C