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N(1)-{4'-[3"-Oxo-4"-acetyl-5"-(p-fluorophenyl)-1"-cyclohexenyl)]phenyl}-5-chloro-2-methoxybenzamide
SpectraBase Compound ID F04nsMi5EhM
InChI InChI=1S/C28H23ClFNO4/c1-16(32)27-23(18-3-8-21(30)9-4-18)13-19(14-25(27)33)17-5-10-22(11-6-17)31-28(34)24-15-20(29)7-12-26(24)35-2/h3-12,14-15,23,27H,13H2,1-2H3,(H,31,34)
InChIKey IVOYNFVGORTMAH-UHFFFAOYSA-N
Mol Weight 491.95 g/mol
Molecular Formula C28H23ClFNO4
Exact Mass 491.129964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8DWokPgPEBQ
Name N(1)-{4'-[3"-Oxo-4"-acetyl-5"-(p-fluorophenyl)-1"-cyclohexenyl)]phenyl}-5-chloro-2-methoxybenzamide
Comments Less than 3 mono-isotopic peaks
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Formula C28H23ClFNO4
InChI InChI=1S/C28H23ClFNO4/c1-16(32)27-23(18-3-8-21(30)9-4-18)13-19(14-25(27)33)17-5-10-22(11-6-17)31-28(34)24-15-20(29)7-12-26(24)35-2/h3-12,14-15,23,27H,13H2,1-2H3,(H,31,34)
InChIKey IVOYNFVGORTMAH-UHFFFAOYSA-N
Molecular Weight 491.946 g/mol
SMILES N(C(c1c(ccc(c1)Cl)OC)=O)c1ccc(C2=CC(C(C(c3ccc(cc3)F)C2)C(=O)C)=O)cc1
SPLASH splash10-001i-0009300000-34f91633240a6a91481a
Source of Spectrum AH-138-1026-16
Synonyms N-[4-[4-acetyl-5-(4-fluorophenyl)-3-oxo-1-cyclohexenyl]phenyl]-5-chloro-2-methoxybenzamide N-[4-[4-acetyl-5-(4-fluorophenyl)-3-oxocyclohexen-1-yl]phenyl]-5-chloro-2-methoxybenzamide N-[4-[4-acetyl-5-(4-fluorophenyl)-3-oxo-cyclohexen-1-yl]phenyl]-5-chloro-2-methoxy-benzamide 5-chloranyl-N-[4-[4-ethanoyl-5-(4-fluorophenyl)-3-oxidanylidene-cyclohexen-1-yl]phenyl]-2-methoxy-benzamide
Wiley ID 1612481