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(+/-)-2,3,11,12-TETRAMETHOXY-6,7,14,14A-TETRAHYDRO-9H-ISOQUINOLINO[2,3-C]-[1,4]BENZOTHIAZEPIN-9-ONE
SpectraBase Compound ID 2eLG9w3lEAs
InChI InChI=1S/C21H23NO5S/c1-24-16-8-12-7-15-14-10-18(26-3)19(27-4)11-20(14)28-6-5-22(15)21(23)13(12)9-17(16)25-2/h8-11,15H,5-7H2,1-4H3
InChIKey LQADLVFEHOOAEX-UHFFFAOYSA-N
Mol Weight 401.48 g/mol
Molecular Formula C21H23NO5S
Exact Mass 401.129694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dy6xc8NobVY
Name (+/-)-2,3,11,12-TETRAMETHOXY-6,7,14,14A-TETRAHYDRO-9H-ISOQUINOLINO[2,3-C]-[1,4]BENZOTHIAZEPIN-9-ONE
Comments M-¦dø
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C21H23NO5S
InChI InChI=1S/C21H23NO5S/c1-24-16-8-12-7-15-14-10-18(26-3)19(27-4)11-20(14)28-6-5-22(15)21(23)13(12)9-17(16)25-2/h8-11,15H,5-7H2,1-4H3
InChIKey LQADLVFEHOOAEX-UHFFFAOYSA-N
Instrument Name Bruker WP-80
Literature Reference J.SZABO, G.BERNATH, A.KATOCS, P.SOHAR (1989) Acta Chimica Hungarica: v.126, N2,165-168.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d