6-(Ethylsulfonyl)-2-[(4-nitrobenzyl)sulfanyl]-1,3-benzoxazole

SpectraBase Compound ID	HOm5KOVMyOM
InChI	InChI=1S/C16H14N2O5S2/c1-2-25(21,22)13-7-8-14-15(9-13)23-16(17-14)24-10-11-3-5-12(6-4-11)18(19)20/h3-9H,2,10H2,1H3
InChIKey	SCISUEYBCINTPV-UHFFFAOYSA-N Google Search
Mol Weight	378.42 g/mol
Molecular Formula	C16H14N2O5S2
Exact Mass	378.034414 g/mol

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SpectraBase Spectrum ID	Aq4kFKMVMxY
Name	benzoxazole, 6-(ethylsulfonyl)-2-[[(4-nitrophenyl)methyl]thio]-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	378.034413902 u
Formula	C16H14N2O5S2
InChI	InChI=1S/C16H14N2O5S2/c1-2-25(21,22)13-7-8-14-15(9-13)23-16(17-14)24-10-11-3-5-12(6-4-11)18(19)20/h3-9H,2,10H2,1H3
InChIKey	SCISUEYBCINTPV-UHFFFAOYSA-N
Molecular Weight	378.417 g/mol
NMR Offset	17.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_4733
Solvent	DMSO-d6
Source	Vendor ID: NMR/9301170; Lab Info: LP; Lab Number: LP-2191300