| SpectraBase Compound ID | FgUP6LQm0oA |
|---|---|
| InChI | InChI=1S/C48H54N6O4/c1-5-29-27-53-21-17-31(29)23-43(53)45(35-15-19-49-41-13-11-33(55-3)25-39(35)41)57-47-37-9-7-8-10-38(37)48(52-51-47)58-46(44-24-32-18-22-54(44)28-30(32)6-2)36-16-20-50-42-14-12-34(56-4)26-40(36)42/h7-16,19-20,25-26,29-32,43-46H,5-6,17-18,21-24,27-28H2,1-4H3/t29-,30-,31+,32+,43+,44+,45-,46-/m0/s1 |
| InChIKey | YUCBLVFHJWOYDN-UTCAMXFTSA-N |
| Mol Weight | 779.0 g/mol |
| Molecular Formula | C48H54N6O4 |
| Exact Mass | 778.420654 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | IJZ21C8BQU5 |
|---|---|
| Name | (DHQD)2PHAL |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 392731 |
| CAS Registry Number | 140853-10-7 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C48H54N6O4 |
| InChI | InChI=1S/C48H54N6O4/c1-5-29-27-53-21-17-31(29)23-43(53)45(35-15-19-49-41-13-11-33(55-3)25-39(35)41)57-47-37-9-7-8-10-38(37)48(52-51-47)58-46(44-24-32-18-22-54(44)28-30(32)6-2)36-16-20-50-42-14-12-34(56-4)26-40(36)42/h7-16,19-20,25-26,29-32,43-46H,5-6,17-18,21-24,27-28H2,1-4H3/t29-,30-,31+,32+,43+,44+,45-,46-/m0/s1 |
| InChIKey | YUCBLVFHJWOYDN-UTCAMXFTSA-N |
| Observed nucleus | 1H |
| Purity | >=95% |
| Solvent | CDCl3 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | Hydroquinidine 1,4-phthalazinediyl diether |
| Wiley ID | SIAL_1HNMR_008559 |