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4-[(E)-2-(p-methoxyphenyl)-1-(9-phenanthryl)ethenyloxy]butanal
SpectraBase Compound ID AFkKvQtiR3I
InChI InChI=1S/C27H24O3/c1-29-22-14-12-20(13-15-22)18-27(30-17-7-6-16-28)26-19-21-8-2-3-9-23(21)24-10-4-5-11-25(24)26/h2-5,8-16,18-19H,6-7,17H2,1H3/b27-18+
InChIKey YRTHWPIGDNXJLD-OVVQPSECSA-N
Mol Weight 396.49 g/mol
Molecular Formula C27H24O3
Exact Mass 396.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YB87dspsTh
Name 4-[(E)-2-(p-methoxyphenyl)-1-(9-phenanthryl)ethenyloxy]butanal
Alternate Name(s) 4-{[(E)-2-(4-methoxyphenyl)-1-(9-phenanthryl)ethenyl]oxy}butanal
Comments Less than 3 mono-isotopic peaks
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Formula C27H24O3
InChI InChI=1S/C27H24O3/c1-29-22-14-12-20(13-15-22)18-27(30-17-7-6-16-28)26-19-21-8-2-3-9-23(21)24-10-4-5-11-25(24)26/h2-5,8-16,18-19H,6-7,17H2,1H3/b27-18+
InChIKey YRTHWPIGDNXJLD-OVVQPSECSA-N
Molecular Weight 396.486 g/mol
SMILES c1(\C(=C/c2ccc(cc2)OC)OCCCC=O)c2c(cccc2)c2c(c1)cccc2
SPLASH splash10-004i-0009000000-cc557e82b694ef95f130
Source of Spectrum AJ-66-220-9
Wiley ID 771959