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(DHQ)2PHAL
SpectraBase Compound ID 7x74e3egEDO
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-/m1/s1
InChIKey YUCBLVFHJWOYDN-OPFNKZSFSA-N
Mol Weight 779.0 g/mol
Molecular Formula C48H54N6O4
Exact Mass 778.420654 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J2HAlma319f
Name (DHQ)2PHAL
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 392723
CAS Registry Number 140924-50-1
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-/m1/s1
InChIKey YUCBLVFHJWOYDN-OPFNKZSFSA-N
Observed nucleus 13C
Purity >=95%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Hydroquinine 1,4-phthalazinediyl diether
Wiley ID SIAL_13CNMR_008633