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1H-Pyrazole, 1-benzoyl-3-[5-(benzoyloxy)-2-phenyl-1,3-dioxan-4-yl]-, [2R-(2.alpha.,4.alpha.,5.beta.)]-
SpectraBase Compound ID 2Z12DOCwsll
InChI InChI=1S/C27H22N2O5/c30-25(19-10-4-1-5-11-19)29-17-16-22(28-29)24-23(33-26(31)20-12-6-2-7-13-20)18-32-27(34-24)21-14-8-3-9-15-21/h1-17,23-24,27H,18H2
InChIKey MQNVFNQOVDOSOJ-UHFFFAOYSA-N
Mol Weight 454.48 g/mol
Molecular Formula C27H22N2O5
Exact Mass 454.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62DNfCqTf8b
Name 1H-Pyrazole, 1-benzoyl-3-[5-(benzoyloxy)-2-phenyl-1,3-dioxan-4-yl]-, [2R-(2.alpha.,4.alpha.,5.beta.)]-
CAS Registry Number 63554-28-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22N2O5
InChI InChI=1S/C27H22N2O5/c30-25(19-10-4-1-5-11-19)29-17-16-22(28-29)24-23(33-26(31)20-12-6-2-7-13-20)18-32-27(34-24)21-14-8-3-9-15-21/h1-17,23-24,27H,18H2
InChIKey MQNVFNQOVDOSOJ-UHFFFAOYSA-N
Molecular Weight 454.482 g/mol
SMILES c1ccc(cc1)C1OCC(C(c2cc[n](C(c3ccccc3)=O)n2)O1)OC(c1ccccc1)=O
SPLASH splash10-0a4i-1900000000-51e92eb7c0d6661d3f7c
Source of Spectrum KC-1977-1567-0
Synonyms 4-(1-Benzoyl-1H-pyrazol-3-yl)-2-phenyl-1,3-dioxan-5-yl benzoate benzoic acid [4-(1-benzoyl-3-pyrazolyl)-2-phenyl-1,3-dioxan-5-yl] ester [4-(1-benzoylpyrazol-3-yl)-2-phenyl-1,3-dioxan-5-yl] benzoate [2-phenyl-4-[1-(phenylcarbonyl)pyrazol-3-yl]-1,3-dioxan-5-yl] benzoate
Wiley ID 1388807