![1-[(p-chlorophenyl)phenylmethyl]hexahydro-4-methyl-1H-1,4-diazepin, octadecyl sulfate(1.1)](/api/spectrum/8rnX6UA3cuo/structure.png?h=300&w=458 "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 | 665.42 g/mol |
| Molecular Formula | C37H61ClN2O4S |
| Exact Mass | 664.404057 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8rnX6UA3cuo |
|---|---|
| Name | 1-[(p-chlorophenyl)phenylmethyl]hexahydro-4-methyl-1H-1,4-diazepin, octadecyl sulfate(1.1) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H61ClN2O4S |
| 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 | Varian CFT-20 |
| Sadtler NMR Number | 50706M |
| Solvent | CDCl3 |