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2-Amino-5-cyano-3-[(1'S)-ethoxycarbonylethoxycarbonyl]-4,6-diphenyl-4H-pyran
SpectraBase Compound ID BqwHOWXH0is
InChI InChI=1S/C24H22N2O5/c1-3-29-23(27)15(2)30-24(28)20-19(16-10-6-4-7-11-16)18(14-25)21(31-22(20)26)17-12-8-5-9-13-17/h4-13,15,19H,3,26H2,1-2H3/t15-,19?/m0/s1
InChIKey VRUKCHNOPHQTIQ-FUKCDUGKSA-N
Mol Weight 418.45 g/mol
Molecular Formula C24H22N2O5
Exact Mass 418.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hQsRIyT14t
Name 2-Amino-5-cyano-3-[(1'S)-ethoxycarbonylethoxycarbonyl]-4,6-diphenyl-4H-pyran
Alternate Name(s) 2-Amino-5-cyano-4,6-diphenyl-4H-pyran-3-carboxylic acid (S)-1-ethoxycarbonyl-ethyl ester 3-Ethoxy-3-oxopropyl 2-amino-5-cyano-4,6-diphenyl-4H-pyran-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22N2O5
InChI InChI=1S/C24H22N2O5/c1-3-29-23(27)15(2)30-24(28)20-19(16-10-6-4-7-11-16)18(14-25)21(31-22(20)26)17-12-8-5-9-13-17/h4-13,15,19H,3,26H2,1-2H3/t15-,19?/m0/s1
InChIKey VRUKCHNOPHQTIQ-FUKCDUGKSA-N
Molecular Weight 418.449 g/mol
SMILES NC1=C(C(C(=C(c2ccccc2)O1)C#N)c1ccccc1)C(O[C@](C(=O)OCC)(C)[H])=O
SPLASH splash10-00xu-0249000000-58c3e4dbf1ae015e381c
Source of Spectrum QC-6-261-4
Wiley ID 868739