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1-acetyl-3-(1-benzoylbut-3-enylidene)indolin-2-one
SpectraBase Compound ID Dm9RE39Su5x
InChI InChI=1S/C21H17NO3/c1-3-9-17(20(24)15-10-5-4-6-11-15)19-16-12-7-8-13-18(16)22(14(2)23)21(19)25/h3-8,10-13H,1,9H2,2H3
InChIKey IRKDCEFGNGFYKK-UHFFFAOYSA-N
Mol Weight 331.37 g/mol
Molecular Formula C21H17NO3
Exact Mass 331.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dXSnQxO64
Name 1-acetyl-3-(1-benzoylbut-3-enylidene)indolin-2-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.120843408 u
Formula C21H17NO3
InChI InChI=1S/C21H17NO3/c1-3-9-17(20(24)15-10-5-4-6-11-15)19-16-12-7-8-13-18(16)22(14(2)23)21(19)25/h3-8,10-13H,1,9H2,2H3
InChIKey IRKDCEFGNGFYKK-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201611625
Molecular Weight 331.371 g/mol
Quality 141
Reported Formula C21H17NO3
SMILES C1=CC2=C(C=C1)N(C(C2=C(CC=C)C(=O)C1=CC=CC=C1)=O)C(C)=O
SPLASH splash10-0a4j-3391000000-acc4ccb2e0af9648ef89
Source of Spectrum ACI-56-SM14-3h (DOI: 10.1002/anie.201611625)
Wiley ID 1892909