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2-[(2E,4E,6E)-7-phenylhepta-2,4,6-trienyl]isoindole-1,3-dione
SpectraBase Compound ID FAE8V1QaRz6
InChI InChI=1S/C21H17NO2/c23-20-18-14-8-9-15-19(18)21(24)22(20)16-10-3-1-2-5-11-17-12-6-4-7-13-17/h1-15H,16H2/b2-1+,10-3+,11-5+
InChIKey VCHJLNSRYATWOS-QEWLWNQXSA-N
Mol Weight 315.37 g/mol
Molecular Formula C21H17NO2
Exact Mass 315.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JwljqUMCASH
Name 2-[(2E,4E,6E)-7-phenylhepta-2,4,6-trienyl]isoindole-1,3-dione
CAS Registry Number 121030-13-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17NO2
InChI InChI=1S/C21H17NO2/c23-20-18-14-8-9-15-19(18)21(24)22(20)16-10-3-1-2-5-11-17-12-6-4-7-13-17/h1-15H,16H2/b2-1+,10-3+,11-5+
InChIKey VCHJLNSRYATWOS-QEWLWNQXSA-N
Molecular Weight 315.372 g/mol
SMILES C1(N(C(c2ccccc12)=O)C\C=C\C=C\C=C\c1ccccc1)=O
SPLASH splash10-014i-0901000000-ba6dfada91749422c479
Source of Spectrum J-54-3366-23
Synonyms 2-[(2E,4E,6E)-7-phenylhepta-2,4,6-trienyl]isoindoline-1,3-dione 2-[(2E,4E,6E)-7-phenylhepta-2,4,6-trienyl]isoindoline-1,3-quinone
Wiley ID 1316188