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7-(ethoxycarbonyl)-4-(methoxycarbonyl)-5a,6,7,8,9,9a-hexahydro-6,9-methanobenzo[4,5]thiazolo[3,2-a]pyridin-10-ium chloride

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7-(ethoxycarbonyl)-4-(methoxycarbonyl)-5a,6,7,8,9,9a-hexahydro-6,9-methanobenzo[4,5]thiazolo[3,2-a]pyridin-10-ium chloride
SpectraBase Compound ID K7I0Ymljl11
InChI InChI=1S/C17H20NO4S.ClH/c1-3-22-17(20)12-8-9-7-11(12)14-13(9)18-6-4-5-10(15(18)23-14)16(19)21-2;/h4-6,9,11-14H,3,7-8H2,1-2H3;1H/q+1;/p-1/t9-,11+,12-,13?,14?;/m0./s1
InChIKey MVMAJKLSUXMPAR-XDHHFCNLSA-M
Mol Weight 369.86 g/mol
Molecular Formula C17H20ClNO4S
Exact Mass 369.080157 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DMAI5mcHNEs
Name 7-(ethoxycarbonyl)-4-(methoxycarbonyl)-5a,6,7,8,9,9a-hexahydro-6,9-methanobenzo[4,5]thiazolo[3,2-a]pyridin-10-ium chloride
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H20NO4S.ClH/c1-3-22-17(20)12-8-9-7-11(12)14-13(9)18-6-4-5-10(15(18)23-14)16(19)21-2;/h4-6,9,11-14H,3,7-8H2,1-2H3;1H/q+1;/p-1/t9-,11+,12-,13?,14?;/m0./s1
InChIKey MVMAJKLSUXMPAR-XDHHFCNLSA-M
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_6379
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/18211807; Labnumber: OBK-8404