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1-{5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furoyl}hexahydro-1H-azepine
SpectraBase Compound ID AhkXxXLasM9
InChI InChI=1S/C17H22N2O3/c1-12-15(13(2)22-18-12)11-14-7-8-16(21-14)17(20)19-9-5-3-4-6-10-19/h7-8H,3-6,9-11H2,1-2H3
InChIKey OFONUSNLFCBQLU-UHFFFAOYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C17H22N2O3
Exact Mass 302.163043 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bx0Fxa3m8cr
Name 1-{5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furoyl}hexahydro-1H-azepine
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/C17H22N2O3/c1-12-15(13(2)22-18-12)11-14-7-8-16(21-14)17(20)19-9-5-3-4-6-10-19/h7-8H,3-6,9-11H2,1-2H3
InChIKey OFONUSNLFCBQLU-UHFFFAOYSA-N
NMR Offset 17.9146
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_32535
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: 1859204; SBI_ID: SBI-032539
Temperature 303 °C