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3-(4-Cyanophenyl)-1-(10-hexyl-10H-phenothazin-3-yl)prop-2-en-1-one

View entire compound with spectra: 1 MS (GC)

3-(4-Cyanophenyl)-1-(10-hexyl-10H-phenothazin-3-yl)prop-2-en-1-one
SpectraBase Compound ID 2t5b3QngkwZ
InChI InChI=1S/C28H26N2OS/c1-2-3-4-7-18-30-24-8-5-6-9-27(24)32-28-19-23(15-16-25(28)30)26(31)17-14-21-10-12-22(20-29)13-11-21/h5-6,8-17,19H,2-4,7,18H2,1H3/b17-14+
InChIKey MCFYDHNUTNOWKB-SAPNQHFASA-N
Mol Weight 438.59 g/mol
Molecular Formula C28H26N2OS
Exact Mass 438.176585 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7eVHTe1x1vz
Name 3-(4-Cyanophenyl)-1-(10-hexyl-10H-phenothazin-3-yl)prop-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H26N2OS
InChI InChI=1S/C28H26N2OS/c1-2-3-4-7-18-30-24-8-5-6-9-27(24)32-28-19-23(15-16-25(28)30)26(31)17-14-21-10-12-22(20-29)13-11-21/h5-6,8-17,19H,2-4,7,18H2,1H3/b17-14+
InChIKey MCFYDHNUTNOWKB-SAPNQHFASA-N
Molecular Weight 438.589 g/mol
SMILES c12N(c3c(Sc2cc(cc1)C(\C=C\c1ccc(C#N)cc1)=O)cccc3)CCCCCC
SPLASH splash10-0fri-0009700000-d1cbb1f2594dcb1ec4f5
Source of Spectrum QE-12-9091-3
Wiley ID 1587418