SpectraBase Compound ID | EOTBNfyO3Yd |
---|---|
InChI | InChI=1S/C32H54N4O2S2.2Cl/c1-37-31-17-9-7-15-29(31)27-35-21-13-5-3-11-19-33-23-25-39-40-26-24-34-20-12-4-6-14-22-36-28-30-16-8-10-18-32(30)38-2;;/h7-10,15-18,33-36H,3-6,11-14,19-28H2,1-2H3;; |
InChIKey | RRVNRPLSUBGHNY-UHFFFAOYSA-N |
Mol Weight | 661.84 g/mol |
Molecular Formula | C32H54Cl2N4O2S2 |
Exact Mass | 660.306525 g/mol |
SpectraBase Spectrum ID | KSVj8a3Ns9W |
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Name | Benextramine tetrahydrochloride |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 218839 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C32H54Cl2N4O2S2 |
InChI | InChI=1S/C32H54N4O2S2.2Cl/c1-37-31-17-9-7-15-29(31)27-35-21-13-5-3-11-19-33-23-25-39-40-26-24-34-20-12-4-6-14-22-36-28-30-16-8-10-18-32(30)38-2;;/h7-10,15-18,33-36H,3-6,11-14,19-28H2,1-2H3;; |
InChIKey | RRVNRPLSUBGHNY-UHFFFAOYSA-N |
Molecular Weight | 661.836 g/mol |
Observed nucleus | 1H |
Solvent | Methanol-d4 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Wiley ID | SIAL_1HNMR_013292 |