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(5E)-2-hexahydro-1H-azepin-1-yl-5-(3-nitrobenzylidene)-1,3-thiazol-4(5H)-one

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(5E)-2-hexahydro-1H-azepin-1-yl-5-(3-nitrobenzylidene)-1,3-thiazol-4(5H)-one
SpectraBase Compound ID G9guL24Lxp0
InChI InChI=1S/C16H17N3O3S/c20-15-14(11-12-6-5-7-13(10-12)19(21)22)23-16(17-15)18-8-3-1-2-4-9-18/h5-7,10-11H,1-4,8-9H2/b14-11+
InChIKey PFEIPBUFIZKDBX-SDNWHVSQSA-N
Mol Weight 331.39 g/mol
Molecular Formula C16H17N3O3S
Exact Mass 331.099063 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D5frGb4gkcw
Name (5E)-2-hexahydro-1H-azepin-1-yl-5-(3-nitrobenzylidene)-1,3-thiazol-4(5H)-one
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/C16H17N3O3S/c20-15-14(11-12-6-5-7-13(10-12)19(21)22)23-16(17-15)18-8-3-1-2-4-9-18/h5-7,10-11H,1-4,8-9H2/b14-11+
InChIKey PFEIPBUFIZKDBX-SDNWHVSQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5633
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: 121693; Labnumber: VLM0304; VK_ID: VK-005636
Synonyms 2-hexahydro-1H-azepin-1-yl-5-(3-nitrobenzylidene)-1,3-thiazol-4(5H)-one
Temperature 318 °C