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ethyl 4-({(2Z)-6-{[4-(methoxycarbonyl)anilino]carbonyl}-3-[2-(4-methoxyphenyl)ethyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
SpectraBase Compound ID CP4TxHF1BV0
InChI InChI=1S/C31H31N3O7S/c1-4-41-30(38)22-9-13-24(14-10-22)33-31-34(18-17-20-5-15-25(39-2)16-6-20)27(35)19-26(42-31)28(36)32-23-11-7-21(8-12-23)29(37)40-3/h5-16,26H,4,17-19H2,1-3H3,(H,32,36)/b33-31-
InChIKey QHWUZQLOAYKPEG-FPODKLOTSA-N
Mol Weight 589.66 g/mol
Molecular Formula C31H31N3O7S
Exact Mass 589.188272 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7lLLlSpS8MA
Name ethyl 4-({(2Z)-6-{[4-(methoxycarbonyl)anilino]carbonyl}-3-[2-(4-methoxyphenyl)ethyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
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/C31H31N3O7S/c1-4-41-30(38)22-9-13-24(14-10-22)33-31-34(18-17-20-5-15-25(39-2)16-6-20)27(35)19-26(42-31)28(36)32-23-11-7-21(8-12-23)29(37)40-3/h5-16,26H,4,17-19H2,1-3H3,(H,32,36)/b33-31-
InChIKey QHWUZQLOAYKPEG-FPODKLOTSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2342
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: D02425; Labnumber: MPOL-13163; SBI_ID: SBI-002344
Synonyms ethyl 4-({6-{[4-(methoxycarbonyl)anilino]carbonyl}-3-[2-(4-methoxyphenyl)ethyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
Temperature 318 °C