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3-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]propyl 4-(1-piperidinylsulfonyl)benzoate
SpectraBase Compound ID 6HWA8jibqZK
InChI InChI=1S/C22H25N3O6S2/c26-22(17-9-11-18(12-10-17)33(29,30)25-14-4-1-5-15-25)31-16-6-13-23-21-19-7-2-3-8-20(19)32(27,28)24-21/h2-3,7-12H,1,4-6,13-16H2,(H,23,24)
InChIKey ZPWRIFCKSDUVBC-UHFFFAOYSA-N
Mol Weight 491.58 g/mol
Molecular Formula C22H25N3O6S2
Exact Mass 491.118478 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F0XI1sOBRfr
Name 3-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]propyl 4-(1-piperidinylsulfonyl)benzoate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 491.118477879 u
Formula C22H25N3O6S2
InChI InChI=1S/C22H25N3O6S2/c26-22(17-9-11-18(12-10-17)33(29,30)25-14-4-1-5-15-25)31-16-6-13-23-21-19-7-2-3-8-20(19)32(27,28)24-21/h2-3,7-12H,1,4-6,13-16H2,(H,23,24)
InChIKey ZPWRIFCKSDUVBC-UHFFFAOYSA-N
Molecular Weight 491.577 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4028
Solvent DMSO-d6
Source Vendor ID: NMR/12308650