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butyl 6-nitro-2-thioxo-1,3-benzothiazole-3(2H)-carboxylate

View entire compound with spectra: 1 NMR

butyl 6-nitro-2-thioxo-1,3-benzothiazole-3(2H)-carboxylate
SpectraBase Compound ID ICEenS8esau
InChI InChI=1S/C12H12N2O4S2/c1-2-3-6-18-11(15)13-9-5-4-8(14(16)17)7-10(9)20-12(13)19/h4-5,7H,2-3,6H2,1H3
InChIKey JWWXBAVBZSCTCB-UHFFFAOYSA-N
Mol Weight 312.36 g/mol
Molecular Formula C12H12N2O4S2
Exact Mass 312.023849 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IEGA1XjiwRH
Name butyl 6-nitro-2-thioxo-1,3-benzothiazole-3(2H)-carboxylate
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/C12H12N2O4S2/c1-2-3-6-18-11(15)13-9-5-4-8(14(16)17)7-10(9)20-12(13)19/h4-5,7H,2-3,6H2,1H3
InChIKey JWWXBAVBZSCTCB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16378
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: 987/00003704; Labnumber: 987/00003704218845; VK_ID: VK-016383
Temperature 318 °C