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2-Amino-5-cyano-3-[(-)-(1'R,2'S,5'R)-methyloxycarbonyl]-4,6-diphenyl-4H-pyran
SpectraBase Compound ID Ka6ocMZVo7R
InChI InChI=1S/C29H32N2O3/c1-18(2)22-15-14-19(3)16-24(22)33-29(32)26-25(20-10-6-4-7-11-20)23(17-30)27(34-28(26)31)21-12-8-5-9-13-21/h4-13,18-19,22,24-25H,14-16,31H2,1-3H3
InChIKey JNUWEBSDWWAWEF-UHFFFAOYSA-N
Mol Weight 456.6 g/mol
Molecular Formula C29H32N2O3
Exact Mass 456.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BAyYtq8vYV
Name 2-Amino-5-cyano-3-[(-)-(1'R,2'S,5'R)-methyloxycarbonyl]-4,6-diphenyl-4H-pyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H32N2O3
InChI InChI=1S/C29H32N2O3/c1-18(2)22-15-14-19(3)16-24(22)33-29(32)26-25(20-10-6-4-7-11-20)23(17-30)27(34-28(26)31)21-12-8-5-9-13-21/h4-13,18-19,22,24-25H,14-16,31H2,1-3H3
InChIKey JNUWEBSDWWAWEF-UHFFFAOYSA-N
Molecular Weight 456.586 g/mol
SMILES NC1=C(C(C(=C(c2ccccc2)O1)C#N)c1ccccc1)C(OC1C(CCC(C1)C)C(C)C)=O
SPLASH splash10-05fu-2591100000-b7b678f4ee4f22dcd4ab
Source of Spectrum QC-6-260-4
Synonyms 2-Amino-5-cyano-4,6-diphenyl-4H-pyran-3-carboxylic acid 2-isopropyl-5-methyl-cyclohexyl ester
Wiley ID 868741