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1,2-benzisothiazole, 3-[4-(3,4,5-trimethoxybenzoyl)-1-piperazinyl]-, 1,1-dioxide
SpectraBase Compound ID JkUIGWsySle
InChI InChI=1S/C21H23N3O6S/c1-28-16-12-14(13-17(29-2)19(16)30-3)21(25)24-10-8-23(9-11-24)20-15-6-4-5-7-18(15)31(26,27)22-20/h4-7,12-13H,8-11H2,1-3H3
InChIKey REITUVNMPJANOT-UHFFFAOYSA-N
Mol Weight 445.49 g/mol
Molecular Formula C21H23N3O6S
Exact Mass 445.130757 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JbybHt3qyt0
Name 1,2-benzisothiazole, 3-[4-(3,4,5-trimethoxybenzoyl)-1-piperazinyl]-, 1,1-dioxide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.130756641 u
Formula C21H23N3O6S
InChI InChI=1S/C21H23N3O6S/c1-28-16-12-14(13-17(29-2)19(16)30-3)21(25)24-10-8-23(9-11-24)20-15-6-4-5-7-18(15)31(26,27)22-20/h4-7,12-13H,8-11H2,1-3H3
InChIKey REITUVNMPJANOT-UHFFFAOYSA-N
Molecular Weight 445.490 g/mol
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1442
Solvent DMSO-d6
Source Vendor ID: NMR/8266602; Lab Info: LP; Lab Number: LP-1900504
Temperature 23.85 °C