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2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID CZGOKy8S6Y
InChI InChI=1S/C21H17BrN2O4/c22-12-3-1-4-13(9-12)26-11-14-7-8-18(27-14)19-15(10-23)21(24)28-17-6-2-5-16(25)20(17)19/h1,3-4,7-9,19H,2,5-6,11,24H2
InChIKey PKQBJOHCCVAJFA-UHFFFAOYSA-N
Mol Weight 441.28 g/mol
Molecular Formula C21H17BrN2O4
Exact Mass 440.03717 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9VuuxdVPwvN
Name 2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-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/C21H17BrN2O4/c22-12-3-1-4-13(9-12)26-11-14-7-8-18(27-14)19-15(10-23)21(24)28-17-6-2-5-16(25)20(17)19/h1,3-4,7-9,19H,2,5-6,11,24H2
InChIKey PKQBJOHCCVAJFA-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3098
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: 9314524; UBI_ID: UBI-003099
Temperature 308 °C