SpectraBase Compound ID | FgUP6LQm0oA |
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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 |
SpectraBase Spectrum ID | 5IFm0ZFZ9D5 |
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Name | (DHQD)2PHAL |
Source of Sample | Aldrich |
Catalog Number | 392731 |
CAS Registry Number | 140853-10-7 |
Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 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 |
Purity | >=95% |
Synonyms | Hydroquinidine 1,4-phthalazinediyl diether |
Wiley ID | SIAL_ATR-IR_018319 |