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(E)-3-[1-phenyl-2-[4-(phenylsulfonyl)phenyl]-6,7-dihydro-5H-pyrrolizin-3-yl]prop-2-enoic acid
SpectraBase Compound ID GFTIhDzLS1u
InChI InChI=1S/C28H23NO4S/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)34(32,33)22-10-5-2-6-11-22/h1-6,8-11,13-18H,7,12,19H2,(H,30,31)/b18-17+
InChIKey JWMWJLNRQHUPDN-ISLYRVAYSA-N
Mol Weight 469.56 g/mol
Molecular Formula C28H23NO4S
Exact Mass 469.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DOdZgwuD9s
Name (E)-3-[1-phenyl-2-[4-(phenylsulfonyl)phenyl]-6,7-dihydro-5H-pyrrolizin-3-yl]prop-2-enoic acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H23NO4S
InChI InChI=1S/C28H23NO4S/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)34(32,33)22-10-5-2-6-11-22/h1-6,8-11,13-18H,7,12,19H2,(H,30,31)/b18-17+
InChIKey JWMWJLNRQHUPDN-ISLYRVAYSA-N
Molecular Weight 469.555 g/mol
SMILES OC(\C=C\c1c(c(-c2ccccc2)c2[n]1CCC2)-c1ccc(S(=O)(=O)c2ccccc2)cc1)=O
SPLASH splash10-003r-0090700000-efee3c9383482edf51f3
Source of Spectrum D8-328-685-6
Synonyms (E)-3-[2-(4-besylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]acrylic acid (E)-3-[2-[4-(benzenesulfonyl)phenyl]-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-2-propenoic acid (E)-3-[2-[4-(benzenesulfonyl)phenyl]-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]prop-2-enoic acid
Wiley ID 1515989