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5-[1R,2S-1,2-Bis(benzyloxy)-3-hydroxypropyl]-1-(4-methoxyphenyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
SpectraBase Compound ID I63TVMR5MBT
InChI InChI=1S/C30H28N2O5/c1-35-27-14-12-26(13-15-27)32-18-25(16-24(17-31)30(32)34)29(37-21-23-10-6-3-7-11-23)28(19-33)36-20-22-8-4-2-5-9-22/h2-16,18,28-29,33H,19-21H2,1H3/t28-,29+/m0/s1
InChIKey KXDJBQFGKJNOEH-URLMMPGGSA-N
Mol Weight 496.56 g/mol
Molecular Formula C30H28N2O5
Exact Mass 496.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1inWlQzUyg
Name 5-[1R,2S-1,2-Bis(benzyloxy)-3-hydroxypropyl]-1-(4-methoxyphenyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H28N2O5
InChI InChI=1S/C30H28N2O5/c1-35-27-14-12-26(13-15-27)32-18-25(16-24(17-31)30(32)34)29(37-21-23-10-6-3-7-11-23)28(19-33)36-20-22-8-4-2-5-9-22/h2-16,18,28-29,33H,19-21H2,1H3/t28-,29+/m0/s1
InChIKey KXDJBQFGKJNOEH-URLMMPGGSA-N
Molecular Weight 496.563 g/mol
SMILES OC[C@@]([C@@](C1=CN(C(C(C#N)=C1)=O)c1ccc(cc1)OC)(OCc1ccccc1)[H])(OCc1ccccc1)[H]
SPLASH splash10-0005-7009000000-e30f83bb71e0cfc3b839
Source of Spectrum F4-0-2762-3
Wiley ID 1618839