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3-Butyryl-6-chloro-1,3-benzoxazole-2(3H)-thione

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3-Butyryl-6-chloro-1,3-benzoxazole-2(3H)-thione
SpectraBase Compound ID 85JAN0gMISU
InChI InChI=1S/C11H10ClNO2S/c1-2-3-10(14)13-8-5-4-7(12)6-9(8)15-11(13)16/h4-6H,2-3H2,1H3
InChIKey QYLIYXRWRKKCGN-UHFFFAOYSA-N
Mol Weight 255.72 g/mol
Molecular Formula C11H10ClNO2S
Exact Mass 255.012077 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EGJH7DFEoBT
Name 2(3H)-benzoxazolethione, 6-chloro-3-(1-oxobutyl)-
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/C11H10ClNO2S/c1-2-3-10(14)13-8-5-4-7(12)6-9(8)15-11(13)16/h4-6H,2-3H2,1H3
InChIKey QYLIYXRWRKKCGN-UHFFFAOYSA-N
NMR Offset 17.7299
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Origin 1H_ASIOH_8516_2606
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: AG-205/5090011; Labnumber: NP-1473; IOH_ID: IOH-009609