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3-[6'-(4"-Phenylsulfinylbenzyl)-7'-phenyl-2',3'-dihydro-1H-pyrrolizin-5'-yl]-acrylic acid
SpectraBase Compound ID 6XCraWWUqmP
InChI InChI=1S/C29H25NO3S/c31-28(32)18-17-26-25(29(22-8-3-1-4-9-22)27-12-7-19-30(26)27)20-21-13-15-24(16-14-21)34(33)23-10-5-2-6-11-23/h1-6,8-11,13-18H,7,12,19-20H2,(H,31,32)/b18-17+
InChIKey QMVMXQNWHJAIJK-ISLYRVAYSA-N
Mol Weight 467.58 g/mol
Molecular Formula C29H25NO3S
Exact Mass 467.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9R6pGebJSlj
Name 3-[6'-(4"-Phenylsulfinylbenzyl)-7'-phenyl-2',3'-dihydro-1H-pyrrolizin-5'-yl]-acrylic acid
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Formula C29H25NO3S
InChI InChI=1S/C29H25NO3S/c31-28(32)18-17-26-25(29(22-8-3-1-4-9-22)27-12-7-19-30(26)27)20-21-13-15-24(16-14-21)34(33)23-10-5-2-6-11-23/h1-6,8-11,13-18H,7,12,19-20H2,(H,31,32)/b18-17+
InChIKey QMVMXQNWHJAIJK-ISLYRVAYSA-N
Molecular Weight 467.583 g/mol
SMILES OC(\C=C\c1[n]2c(CCC2)c(c1Cc1ccc(S(=O)c2ccccc2)cc1)-c1ccccc1)=O
SPLASH splash10-001i-0079400000-38ca9d85c20db5aaecea
Source of Spectrum D8-328-685-6
Synonyms (2E)-3-{7-phenyl-6-[4-(phenylsulfinyl)benzyl]-2,3-dihydro-1H-pyrrolo[1,2-a]pyrrol-5-yl}-2-propenoic acid
Wiley ID 1515987