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2-amino-4-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID Qh9v5wzYfa
InChI InChI=1S/C23H21N3O3S/c1-28-18-9-8-14(11-15(18)13-30-20-7-2-3-10-26-20)21-16(12-24)23(25)29-19-6-4-5-17(27)22(19)21/h2-3,7-11,21H,4-6,13,25H2,1H3
InChIKey IEKDZEZJDAMROM-UHFFFAOYSA-N
Mol Weight 419.5 g/mol
Molecular Formula C23H21N3O3S
Exact Mass 419.130363 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DdPnSJllxgK
Name 2-amino-4-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-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/C23H21N3O3S/c1-28-18-9-8-14(11-15(18)13-30-20-7-2-3-10-26-20)21-16(12-24)23(25)29-19-6-4-5-17(27)22(19)21/h2-3,7-11,21H,4-6,13,25H2,1H3
InChIKey IEKDZEZJDAMROM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2946
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/8074208; UBI_ID: UBI-002947
Temperature 308 °C