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2-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)hexahydro-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID DUmdueOJOJX
InChI InChI=1S/C25H23N3O3S2/c29-22(27-12-11-15-5-1-4-8-20(15)27)14-32-25-26-19-10-9-16(13-21(19)33-25)28-23(30)17-6-2-3-7-18(17)24(28)31/h1,4-5,8-10,13,17-18H,2-3,6-7,11-12,14H2
InChIKey KKKIQZSJLMKDCY-UHFFFAOYSA-N
Mol Weight 477.6 g/mol
Molecular Formula C25H23N3O3S2
Exact Mass 477.118084 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JlFpnAHRWty
Name 1H-isoindole-1,3(2H)-dione, 2-[2-[[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]thio]-6-benzothiazolyl]hexahydro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 477.118083958 u
Formula C25H23N3O3S2
InChI InChI=1S/C25H23N3O3S2/c29-22(27-12-11-15-5-1-4-8-20(15)27)14-32-25-26-19-10-9-16(13-21(19)33-25)28-23(30)17-6-2-3-7-18(17)24(28)31/h1,4-5,8-10,13,17-18H,2-3,6-7,11-12,14H2
InChIKey KKKIQZSJLMKDCY-UHFFFAOYSA-N
Molecular Weight 477.597 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9937
Solvent DMSO-d6
Source Vendor ID: NMR/9223588; Lab Info: LP; Lab Number: LP-0609042