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3-[6'-(4"-Phenylthiobenzyl)-7'-phenyl-2',3'-dihydro-1H-pyrrolizin-5'-yl]-acrylic acid
SpectraBase Compound ID 7s95U9Tld2y
InChI InChI=1S/C29H25NO2S/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)33-23-10-5-2-6-11-23/h1-6,8-11,13-18H,7,12,19-20H2,(H,31,32)/b18-17+
InChIKey QEJARLBYWMVIDN-ISLYRVAYSA-N
Mol Weight 451.58 g/mol
Molecular Formula C29H25NO2S
Exact Mass 451.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpYzFXcXHrv
Name 3-[6'-(4"-Phenylthiobenzyl)-7'-phenyl-2',3'-dihydro-1H-pyrrolizin-5'-yl]-acrylic acid
Alternate Name(s) (2E)-3-{7-phenyl-6-[4-(phenylsulfanyl)benzyl]-2,3-dihydro-1H-pyrrolo[1,2-a]pyrrol-5-yl}-2-propenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H25NO2S
InChI InChI=1S/C29H25NO2S/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)33-23-10-5-2-6-11-23/h1-6,8-11,13-18H,7,12,19-20H2,(H,31,32)/b18-17+
InChIKey QEJARLBYWMVIDN-ISLYRVAYSA-N
Molecular Weight 451.584 g/mol
SMILES OC(\C=C\c1[n]2c(CCC2)c(c1Cc1ccc(Sc2ccccc2)cc1)-c1ccccc1)=O
SPLASH splash10-067i-0089700000-dad174079571ff591e30
Source of Spectrum D8-328-685-6
Wiley ID 1515988