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thieno[3,4-d]thiazol-2-amine, N-[3-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]phenyl]-3a,4,6,6a-tetrahydro-, 5,5-dioxide
SpectraBase Compound ID 2nq0nSnxYFY
InChI InChI=1S/C21H21N3O3S2/c25-20(24-9-8-14-4-1-2-5-16(14)11-24)15-6-3-7-17(10-15)22-21-23-18-12-29(26,27)13-19(18)28-21/h1-7,10,18-19H,8-9,11-13H2,(H,22,23)
InChIKey LPVZREXXFCLEQT-UHFFFAOYSA-N
Mol Weight 427.54 g/mol
Molecular Formula C21H21N3O3S2
Exact Mass 427.102434 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID r7wrAeZnb4
Name thieno[3,4-d]thiazol-2-amine, N-[3-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]phenyl]-3a,4,6,6a-tetrahydro-, 5,5-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 427.102433893 u
Formula C21H21N3O3S2
InChI InChI=1S/C21H21N3O3S2/c25-20(24-9-8-14-4-1-2-5-16(14)11-24)15-6-3-7-17(10-15)22-21-23-18-12-29(26,27)13-19(18)28-21/h1-7,10,18-19H,8-9,11-13H2,(H,22,23)
InChIKey LPVZREXXFCLEQT-UHFFFAOYSA-N
Molecular Weight 427.537 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6496
Solvent DMSO-d6
Source Vendor ID: NMR/13289735