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2-({2-[(4-tert-butylphenyl)sulfanyl]ethyl}sulfonyl)-1,3-benzothiazole
SpectraBase Compound ID 12W2czwoLAD
InChI InChI=1S/C19H21NO2S3/c1-19(2,3)14-8-10-15(11-9-14)23-12-13-25(21,22)18-20-16-6-4-5-7-17(16)24-18/h4-11H,12-13H2,1-3H3
InChIKey IXGFGLXTCJWFLH-UHFFFAOYSA-N
Mol Weight 391.56 g/mol
Molecular Formula C19H21NO2S3
Exact Mass 391.073442 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DBpTUgdKSZ5
Name 2-({2-[(4-tert-butylphenyl)sulfanyl]ethyl}sulfonyl)-1,3-benzothiazole
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/C19H21NO2S3/c1-19(2,3)14-8-10-15(11-9-14)23-12-13-25(21,22)18-20-16-6-4-5-7-17(16)24-18/h4-11H,12-13H2,1-3H3
InChIKey IXGFGLXTCJWFLH-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17329
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: UZI/9051316; UBI_ID: UBI-017332
Synonyms 1,3-benzothiazol-2-yl 2-[(4-tert-butylphenyl)sulfanyl]ethyl sulfone
Temperature 308 °C