![1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine, dimethanesulfonate](/api/spectrum/HY7wDXZObQw/structure.png?h=300&w=458 "1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine, dimethanesulfonate")
| SpectraBase Compound ID | FE4ebBe048i |
|---|---|
| InChI | InChI=1S/C28H34N2O.2CH4O3S/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27;2*1-5(2,3)4/h1-9,11-12,14-17,28H,10,13,18-24H2;2*1H3,(H,2,3,4) |
| InChIKey | DIMFKJRSXNSZQZ-UHFFFAOYSA-N |
| Mol Weight | 606.79 g/mol |
| Molecular Formula | C30H42N2O7S2 |
| Exact Mass | 606.243344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HY7wDXZObQw |
|---|---|
| Name | 1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine, dimethanesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 606.243344041 u |
| Formula | C30H42N2O7S2 |
| InChI | InChI=1S/C28H34N2O.2CH4O3S/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27;2*1-5(2,3)4/h1-9,11-12,14-17,28H,10,13,18-24H2;2*1H3,(H,2,3,4) |
| InChIKey | DIMFKJRSXNSZQZ-UHFFFAOYSA-N |
| Molecular Weight | 606.793 g/mol |
| SMILES | OS(C)(=O)=O.OS(C)(=O)=O.C=1C(=CC=CC1)CCCN1CCN(CC1)CCOC(C=1C=CC=CC1)C=1C=CC=CC1 |