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3-[6'-(4"-Phenylaminophenyl)-7'-phenyl-2',3'-dihydro-1H-pyrrolizin-5'-yl]-acrylic acid
SpectraBase Compound ID 5xig0FlaP2D
InChI InChI=1S/C28H24N2O2/c31-26(32)18-17-25-28(21-13-15-23(16-14-21)29-22-10-5-2-6-11-22)27(20-8-3-1-4-9-20)24-12-7-19-30(24)25/h1-6,8-11,13-18,29H,7,12,19H2,(H,31,32)/b18-17+
InChIKey LYGSUULFQOJYKD-ISLYRVAYSA-N
Mol Weight 420.51 g/mol
Molecular Formula C28H24N2O2
Exact Mass 420.183778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6wAkWduJxQ
Name 3-[6'-(4"-Phenylaminophenyl)-7'-phenyl-2',3'-dihydro-1H-pyrrolizin-5'-yl]-acrylic acid
Alternate Name(s) (2E)-3-[6-(4-anilinophenyl)-7-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]pyrrol-5-yl]-2-propenoic acid (E)-3-[2-(4-anilinophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-2-propenoic acid (E)-3-[2-(4-anilinophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]prop-2-enoic acid (E)-3-[1-phenyl-2-(4-phenylazanylphenyl)-6,7-dihydro-5H-pyrrolizin-3-yl]prop-2-enoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C28H24N2O2
InChI InChI=1S/C28H24N2O2/c31-26(32)18-17-25-28(21-13-15-23(16-14-21)29-22-10-5-2-6-11-22)27(20-8-3-1-4-9-20)24-12-7-19-30(24)25/h1-6,8-11,13-18,29H,7,12,19H2,(H,31,32)/b18-17+
InChIKey LYGSUULFQOJYKD-ISLYRVAYSA-N
Molecular Weight 420.512 g/mol
SMILES N(c1ccc(-c2c(\C=C\C(=O)O)[n]3c(c2-c2ccccc2)CCC3)cc1)c1ccccc1
SPLASH splash10-004i-0009000000-21af30345d8ae13ce291
Source of Spectrum D8-328-685-6
Wiley ID 1515991