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METHYL-5-[4-(7-[4-(METHOXYCARBONYLMETHYL)-PHENYL]-HEPTYL)-PHENYL]-PENTANOATE
SpectraBase Compound ID 52qZNq4uXdz
InChI InChI=1S/C28H38O4/c1-31-27(29)13-9-8-12-25-16-14-23(15-17-25)10-6-4-3-5-7-11-24-18-20-26(21-19-24)22-28(30)32-2/h14-21H,3-13,22H2,1-2H3
InChIKey FRWNWRFDXXPQGQ-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C28H38O4
Exact Mass 438.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8NliPnwKBYl
Name 5-[4-[7-[4-(2-keto-2-methoxy-ethyl)phenyl]heptyl]phenyl]valeric acid methyl ester
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Formula C28H38O4
InChI InChI=1S/C28H38O4/c1-31-27(29)13-9-8-12-25-16-14-23(15-17-25)10-6-4-3-5-7-11-24-18-20-26(21-19-24)22-28(30)32-2/h14-21H,3-13,22H2,1-2H3
InChIKey FRWNWRFDXXPQGQ-UHFFFAOYSA-N
Molecular Weight 438.608 g/mol
SMILES C(=O)(Cc1ccc(cc1)CCCCCCCc1ccc(cc1)CCCCC(=O)OC)OC
SPLASH splash10-0aw9-2904200000-8edf87114c10d6487ebc
Source of Spectrum KC-0-1147-24
Synonyms 5-[4-[7-[4-(2-methoxy-2-oxoethyl)phenyl]heptyl]phenyl]pentanoic acid methyl ester Methyl 5-[4-[7-[4-(2-methoxy-2-oxidanylidene-ethyl)phenyl]heptyl]phenyl]pentanoate Methyl 5-[4-[7-[4-(2-methoxy-2-oxo-ethyl)phenyl]heptyl]phenyl]pentanoate
Wiley ID 785653