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benzoic acid, 4-[4,6,7,8-tetrahydro-1-(6-methoxy-2-benzothiazolyl)-3-methyl-7-oxo-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-, methyl ester

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benzoic acid, 4-[4,6,7,8-tetrahydro-1-(6-methoxy-2-benzothiazolyl)-3-methyl-7-oxo-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-, methyl ester
SpectraBase Compound ID 1rw1KJPIHCL
InChI InChI=1S/C23H20N4O4S2/c1-12-19-20(13-4-6-14(7-5-13)22(29)31-3)32-11-18(28)25-21(19)27(26-12)23-24-16-9-8-15(30-2)10-17(16)33-23/h4-10,20H,11H2,1-3H3,(H,25,28)
InChIKey IBAHTIXBQFAHCY-UHFFFAOYSA-N
Mol Weight 480.56 g/mol
Molecular Formula C23H20N4O4S2
Exact Mass 480.092597 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1CjSOw7E67i
Name benzoic acid, 4-[4,6,7,8-tetrahydro-1-(6-methoxy-2-benzothiazolyl)-3-methyl-7-oxo-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-, methyl ester
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/C23H20N4O4S2/c1-12-19-20(13-4-6-14(7-5-13)22(29)31-3)32-11-18(28)25-21(19)27(26-12)23-24-16-9-8-15(30-2)10-17(16)33-23/h4-10,20H,11H2,1-3H3,(H,25,28)
InChIKey IBAHTIXBQFAHCY-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_4921
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/17231329; Labnumber: DUD-7030127