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1-{5-[(2-chlorophenoxy)methyl]-2-furoyl}hexahydro-1H-azepine

View entire compound with spectra: 2 NMR

1-{5-[(2-chlorophenoxy)methyl]-2-furoyl}hexahydro-1H-azepine
SpectraBase Compound ID IsspLeo3qw6
InChI InChI=1S/C18H20ClNO3/c19-15-7-3-4-8-16(15)22-13-14-9-10-17(23-14)18(21)20-11-5-1-2-6-12-20/h3-4,7-10H,1-2,5-6,11-13H2
InChIKey MKRVVBQAJLOUNY-UHFFFAOYSA-N
Mol Weight 333.82 g/mol
Molecular Formula C18H20ClNO3
Exact Mass 333.113171 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7IfnoyTJlxO
Name 1-{5-[(2-Chlorophenoxy)methyl]-2-furoyl}hexahydro-1H-azepine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.113171205 u
Formula C18H20ClNO3
InChI InChI=1S/C18H20ClNO3/c19-15-7-3-4-8-16(15)22-13-14-9-10-17(23-14)18(21)20-11-5-1-2-6-12-20/h3-4,7-10H,1-2,5-6,11-13H2
InChIKey MKRVVBQAJLOUNY-UHFFFAOYSA-N
Molecular Weight 333.815 g/mol
SMILES C=1(C(N2CCCCCC2)=O)OC(COC2=C(Cl)C=CC=C2)=CC1