4-Cyclohexylsulfanyl-3-[1,3]dioxolan-2-yl-6-nitro-benzo[d]isoxazole

SpectraBase Compound ID	5oV0yKFxi6n
InChI	InChI=1S/C16H18N2O5S/c19-18(20)10-8-12-14(15(17-23-12)16-21-6-7-22-16)13(9-10)24-11-4-2-1-3-5-11/h8-9,11,16H,1-7H2
InChIKey	HRJXCBDRQHKEOF-UHFFFAOYSA-N Google Search
Mol Weight	350.39 g/mol
Molecular Formula	C16H18N2O5S
Exact Mass	350.093643 g/mol

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SpectraBase Spectrum ID	G3764DK3FHh
Name	1,2-benzisoxazole, 4-(cyclohexylthio)-3-(1,3-dioxolan-2-yl)-6-nitro-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	350.093642857 u
Formula	C16H18N2O5S
InChI	InChI=1S/C16H18N2O5S/c19-18(20)10-8-12-14(15(17-23-12)16-21-6-7-22-16)13(9-10)24-11-4-2-1-3-5-11/h8-9,11,16H,1-7H2
InChIKey	HRJXCBDRQHKEOF-UHFFFAOYSA-N
Molecular Weight	350.389 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_14924
Solvent	DMSO-d6
Source	Vendor ID: NMR/11210270; Lab Info: DAL; Lab Number: DAL-vin0011