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4-Oxo-2-[benzyl(but-2'-enyl)amino]-4H-[1]-benzopyran-3-carboxaldehyde
SpectraBase Compound ID 2oe6v56viSs
InChI InChI=1S/C21H19NO3/c1-2-3-13-22(14-16-9-5-4-6-10-16)21-18(15-23)20(24)17-11-7-8-12-19(17)25-21/h2-12,15H,13-14H2,1H3/b3-2+
InChIKey MESDZPLOILITCS-NSCUHMNNSA-N
Mol Weight 333.39 g/mol
Molecular Formula C21H19NO3
Exact Mass 333.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HtSQ4TJKabZ
Name 4-Oxo-2-[benzyl(but-2'-enyl)amino]-4H-[1]-benzopyran-3-carboxaldehyde
Alternate Name(s) 2-{benzyl[(2E)-2-butenyl]amino}-4-oxo-4H-chromene-3-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO3
InChI InChI=1S/C21H19NO3/c1-2-3-13-22(14-16-9-5-4-6-10-16)21-18(15-23)20(24)17-11-7-8-12-19(17)25-21/h2-12,15H,13-14H2,1H3/b3-2+
InChIKey MESDZPLOILITCS-NSCUHMNNSA-N
Molecular Weight 333.387 g/mol
SMILES C1(=C(C(=O)c2c(O1)cccc2)C=O)N(Cc1ccccc1)C\C=C\C
SPLASH splash10-0udi-0590000000-e1af28039c8b56e24017
Source of Spectrum H-86-177-15
Wiley ID 1525228