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1H-isoindole-1,3(2H)-dione, 5,6-dichloro-2-[3-(methylthio)-1-(1-piperidinylcarbonyl)propyl]-
SpectraBase Compound ID FXGLs3sgLHk
InChI InChI=1S/C18H20Cl2N2O3S/c1-26-8-5-15(18(25)21-6-3-2-4-7-21)22-16(23)11-9-13(19)14(20)10-12(11)17(22)24/h9-10,15H,2-8H2,1H3
InChIKey WRFQDQIWGURORS-UHFFFAOYSA-N
Mol Weight 415.34 g/mol
Molecular Formula C18H20Cl2N2O3S
Exact Mass 414.057169 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ACOphD5ZOQX
Name 1H-isoindole-1,3(2H)-dione, 5,6-dichloro-2-[3-(methylthio)-1-(1-piperidinylcarbonyl)propyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.057169083 u
Formula C18H20Cl2N2O3S
InChI InChI=1S/C18H20Cl2N2O3S/c1-26-8-5-15(18(25)21-6-3-2-4-7-21)22-16(23)11-9-13(19)14(20)10-12(11)17(22)24/h9-10,15H,2-8H2,1H3
InChIKey WRFQDQIWGURORS-UHFFFAOYSA-N
Molecular Weight 415.335 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9607
Solvent DMSO-d6
Source Vendor ID: NMR/10240639; Lab Info: AI; Lab Number: AI-S001283
Temperature 29.85 °C