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(E)-3-[1-phenyl-2-[4-(phenylsulfinyl)phenyl]-6,7-dihydro-5H-pyrrolizin-3-yl]prop-2-enoic acid
SpectraBase Compound ID Eo4RRmjHbof
InChI InChI=1S/C28H23NO3S/c30-26(31)18-17-25-28(27(20-8-3-1-4-9-20)24-12-7-19-29(24)25)21-13-15-23(16-14-21)33(32)22-10-5-2-6-11-22/h1-6,8-11,13-18H,7,12,19H2,(H,30,31)/b18-17+
InChIKey VICLZRJREKDGNQ-ISLYRVAYSA-N
Mol Weight 453.56 g/mol
Molecular Formula C28H23NO3S
Exact Mass 453.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6njNXnpnZi
Name (E)-3-[1-phenyl-2-[4-(phenylsulfinyl)phenyl]-6,7-dihydro-5H-pyrrolizin-3-yl]prop-2-enoic acid
Alternate Name(s) (E)-3-[2-[4-(benzenesulfinyl)phenyl]-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-2-propenoic acid (E)-3-[2-[4-(benzenesulfinyl)phenyl]-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]acrylic acid (E)-3-[2-[4-(benzenesulfinyl)phenyl]-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]prop-2-enoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C28H23NO3S
InChI InChI=1S/C28H23NO3S/c30-26(31)18-17-25-28(27(20-8-3-1-4-9-20)24-12-7-19-29(24)25)21-13-15-23(16-14-21)33(32)22-10-5-2-6-11-22/h1-6,8-11,13-18H,7,12,19H2,(H,30,31)/b18-17+
InChIKey VICLZRJREKDGNQ-ISLYRVAYSA-N
Molecular Weight 453.556 g/mol
SMILES OC(\C=C\c1c(c(-c2ccccc2)c2[n]1CCC2)-c1ccc(S(=O)c2ccccc2)cc1)=O
SPLASH splash10-053r-0090700000-ac02afc720d3fad6b8c6
Source of Spectrum D8-328-685-6
Wiley ID 1515990