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Dimethyl 2-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)-3-(triphenylphosphoranylidene)succinate
SpectraBase Compound ID HIciDuen25m
InChI InChI=1S/C28H27N2O5P/c1-20-19-24(31)30(29-20)25(27(32)34-2)26(28(33)35-3)36(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-19,25,31H,1-3H3
InChIKey ITEGNTZSJQZHKX-UHFFFAOYSA-N
Mol Weight 502.51 g/mol
Molecular Formula C28H27N2O5P
Exact Mass 502.165759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J8KJxgbQbjL
Name Dimethyl 2-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)-3-(triphenylphosphoranylidene)succinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27N2O5P
InChI InChI=1S/C28H27N2O5P/c1-20-19-24(31)30(29-20)25(27(32)34-2)26(28(33)35-3)36(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-19,25,31H,1-3H3
InChIKey ITEGNTZSJQZHKX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201200199
Molecular Weight 502.507 g/mol
SMILES Oc1[n](C(C(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)OC)C(OC)=O)nc(c1)C
SPLASH splash10-02t9-1249420000-5a357f2727e0545fa834
Source of Spectrum CJC-30-1898-15f
Wiley ID 1772781