![2-{4-(p-Chlorophenyl)-4-(3-piperidinopropoxy)piperidino]-6'-methyl-o-acetotoluidide, dioxalate](/api/spectrum/2wDn2nBkUO7/structure.png?h=300&w=458 "2-{4-(p-Chlorophenyl)-4-(3-piperidinopropoxy)piperidino]-6'-methyl-o-acetotoluidide, dioxalate")
| SpectraBase Compound ID | J2SeRq4b0Iz |
|---|---|
| InChI | InChI=1S/C29H40ClN3O2.2C2H2O4/c1-23-8-6-9-24(2)28(23)31-27(34)22-33-19-14-29(15-20-33,25-10-12-26(30)13-11-25)35-21-7-18-32-16-4-3-5-17-32;2*3-1(4)2(5)6/h6,8-13H,3-5,7,14-22H2,1-2H3,(H,31,34);2*(H,3,4)(H,5,6) |
| InChIKey | CPVVBNTZUWSZDN-UHFFFAOYSA-N |
| Mol Weight | 678.18 g/mol |
| Molecular Formula | C33H44ClN3O10 |
| Exact Mass | 677.271522 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2wDn2nBkUO7 |
|---|---|
| Name | 2-{4-(p-Chlorophenyl)-4-(3-piperidinopropoxy)piperidino]-6'-methyl-o-acetotoluidide, dioxalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 677.271522319 u |
| Formula | C33H44ClN3O10 |
| InChI | InChI=1S/C29H40ClN3O2.2C2H2O4/c1-23-8-6-9-24(2)28(23)31-27(34)22-33-19-14-29(15-20-33,25-10-12-26(30)13-11-25)35-21-7-18-32-16-4-3-5-17-32;2*3-1(4)2(5)6/h6,8-13H,3-5,7,14-22H2,1-2H3,(H,31,34);2*(H,3,4)(H,5,6) |
| InChIKey | CPVVBNTZUWSZDN-UHFFFAOYSA-N |
| Molecular Weight | 678.179 g/mol |
| SMILES | N(C1=C(C)C=CC=C1C)C(CN1CCC(CC1)(C1=CC=C(C=C1)Cl)OCCCN1CCCCC1)=O.OC(C(=O)O)=O.OC(C(=O)O)=O |