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1-[(p-chlorophenyl)phenylmethyl]hexahydro-4-methyl-1H-1,4-diazepin, octadecyl sulfate(1.1)

View entire compound with spectra: 2 NMR, and 1 FTIR

1-[(p-chlorophenyl)phenylmethyl]hexahydro-4-methyl-1H-1,4-diazepin, octadecyl sulfate(1.1)
SpectraBase Compound ID HYOYy2R9oJq
InChI InChI=1S/C19H23ClN2.C18H38O4S/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h2-4,6-11,19H,5,12-15H2,1H3;2-18H2,1H3,(H,19,20,21)
InChIKey LXAUAMGDRHAHHE-UHFFFAOYSA-N
Mol Weight 665.4 g/mol
Molecular Formula C37H61ClN2O4S
Exact Mass 664.404057 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FslU4m0rzkc
Name 1-[(p-CHLOROPHENYL)PHENYLMETHYL]HEXAHYDRO-4-METHYL-1H-1,4-DIAZEPINE, OCTADECYL SULFATE (1:1)
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23ClN2 + C18H38O4S
InChI InChI=1S/C19H23ClN2.C18H38O4S/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h2-4,6-11,19H,5,12-15H2,1H3;2-18H2,1H3,(H,19,20,21)
InChIKey LXAUAMGDRHAHHE-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 665.43
Solvent CDCl3; Reference=TMS; Temperature 297K