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2-[(4-isobutoxybenzoyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid
SpectraBase Compound ID 4BVztxDM2Jm
InChI InChI=1S/C21H25NO5S/c1-12(2)10-26-14-7-5-13(6-8-14)18(23)22-19-17(20(24)25)15-9-21(3,4)27-11-16(15)28-19/h5-8,12H,9-11H2,1-4H3,(H,22,23)(H,24,25)
InChIKey VIQAAUANLKEQLL-UHFFFAOYSA-N
Mol Weight 403.49 g/mol
Molecular Formula C21H25NO5S
Exact Mass 403.145344 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E35G1Cnk0oo
Name 2-[(4-isobutoxybenzoyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid
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/C21H25NO5S/c1-12(2)10-26-14-7-5-13(6-8-14)18(23)22-19-17(20(24)25)15-9-21(3,4)27-11-16(15)28-19/h5-8,12H,9-11H2,1-4H3,(H,22,23)(H,24,25)
InChIKey VIQAAUANLKEQLL-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10950
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: UZI/6220805; Labnumber: MMA2-0000014; UZI_ID: UZI-010952
Temperature 308 °C