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benzoic acid, 4-[[(2Z)-3-ethyl-6-[[[4-(hexyloxy)phenyl]amino]carbonyl]tetrahydro-4-oxo-2H-1,3-thiazin-2-ylidene]amino]-, methyl ester

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benzoic acid, 4-[[(2Z)-3-ethyl-6-[[[4-(hexyloxy)phenyl]amino]carbonyl]tetrahydro-4-oxo-2H-1,3-thiazin-2-ylidene]amino]-, methyl ester
SpectraBase Compound ID 8jOntCqlqZ8
InChI InChI=1S/C27H33N3O5S/c1-4-6-7-8-17-35-22-15-13-20(14-16-22)28-25(32)23-18-24(31)30(5-2)27(36-23)29-21-11-9-19(10-12-21)26(33)34-3/h9-16,23H,4-8,17-18H2,1-3H3,(H,28,32)/b29-27-
InChIKey PNNCLGIMTBDOTF-OHYPFYFLSA-N
Mol Weight 511.6 g/mol
Molecular Formula C27H33N3O5S
Exact Mass 511.214092 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IoTjcNsC1i6
Name benzoic acid, 4-[[(2Z)-3-ethyl-6-[[[4-(hexyloxy)phenyl]amino]carbonyl]tetrahydro-4-oxo-2H-1,3-thiazin-2-ylidene]amino]-, methyl 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/C27H33N3O5S/c1-4-6-7-8-17-35-22-15-13-20(14-16-22)28-25(32)23-18-24(31)30(5-2)27(36-23)29-21-11-9-19(10-12-21)26(33)34-3/h9-16,23H,4-8,17-18H2,1-3H3,(H,28,32)/b29-27-
InChIKey PNNCLGIMTBDOTF-OHYPFYFLSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_3172
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: NMR/11278828