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4-(4-Chloro-benzylsulfanyl)-3-[1,3]dioxolan-2-yl-6-nitro-benzo[d]isoxazole

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4-(4-Chloro-benzylsulfanyl)-3-[1,3]dioxolan-2-yl-6-nitro-benzo[d]isoxazole
SpectraBase Compound ID 8fvNnonsVOK
InChI InChI=1S/C17H13ClN2O5S/c18-11-3-1-10(2-4-11)9-26-14-8-12(20(21)22)7-13-15(14)16(19-25-13)17-23-5-6-24-17/h1-4,7-8,17H,5-6,9H2
InChIKey VGEPFPAAQXLWJI-UHFFFAOYSA-N
Mol Weight 392.81 g/mol
Molecular Formula C17H13ClN2O5S
Exact Mass 392.02337 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LLCBC8pH14M
Name 1,2-benzisoxazole, 4-[[(4-chlorophenyl)methyl]thio]-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 392.023370396 u
Formula C17H13ClN2O5S
InChI InChI=1S/C17H13ClN2O5S/c18-11-3-1-10(2-4-11)9-26-14-8-12(20(21)22)7-13-15(14)16(19-25-13)17-23-5-6-24-17/h1-4,7-8,17H,5-6,9H2
InChIKey VGEPFPAAQXLWJI-UHFFFAOYSA-N
Molecular Weight 392.813 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14922
Solvent DMSO-d6
Source Vendor ID: NMR/11210268; Lab Info: DAL; Lab Number: DAL-vin0008