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4,4'-(1-allyl-1H-pyrrole-2,5-diyl)bis(1-phenylbutan-2-one)
SpectraBase Compound ID ADTPRWvGBHN
InChI InChI=1S/C27H29NO2/c1-2-19-28-24(15-17-26(29)20-22-9-5-3-6-10-22)13-14-25(28)16-18-27(30)21-23-11-7-4-8-12-23/h2-14H,1,15-21H2
InChIKey FPFHMDJWYNNFLG-UHFFFAOYSA-N
Mol Weight 399.53 g/mol
Molecular Formula C27H29NO2
Exact Mass 399.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1NFZmGlSg1K
Name 4,4'-(1-allyl-1H-pyrrole-2,5-diyl)bis(1-phenylbutan-2-one)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29NO2
InChI InChI=1S/C27H29NO2/c1-2-19-28-24(15-17-26(29)20-22-9-5-3-6-10-22)13-14-25(28)16-18-27(30)21-23-11-7-4-8-12-23/h2-14H,1,15-21H2
InChIKey FPFHMDJWYNNFLG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201100800
Molecular Weight 399.534 g/mol
SMILES C(Cc1[n](CC=C)c(CCC(Cc2ccccc2)=O)cc1)C(Cc1ccccc1)=O
SPLASH splash10-015a-2692000000-1c6f50197a89519053d8
Source of Spectrum ASC-354-863/SM15-15
Wiley ID 1762974