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2-amino-4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methyl-2-thienyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID Abw1wFVBK87
InChI InChI=1S/C23H21ClN2O3S/c1-12-8-15(24)6-7-18(12)28-11-14-9-20(30-13(14)2)21-16(10-25)23(26)29-19-5-3-4-17(27)22(19)21/h6-9,21H,3-5,11,26H2,1-2H3
InChIKey RMPVSAWTDTVMOP-UHFFFAOYSA-N
Mol Weight 440.95 g/mol
Molecular Formula C23H21ClN2O3S
Exact Mass 440.096141 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1tWm3L0uQu1
Name 2-amino-4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methyl-2-thienyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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/C23H21ClN2O3S/c1-12-8-15(24)6-7-18(12)28-11-14-9-20(30-13(14)2)21-16(10-25)23(26)29-19-5-3-4-17(27)22(19)21/h6-9,21H,3-5,11,26H2,1-2H3
InChIKey RMPVSAWTDTVMOP-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12839
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/1010106; UBI_ID: UBI-012842
Temperature 308 °C