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3H-Pyrrolizine, 6-(phenylsulfonyl)-5-[2-(phenylsulfonyl)ethyl]-3-[[1-[2-(phenylsulfon yl)ethyl]-1H-pyrrol-2-yl]methylene]-
SpectraBase Compound ID 2TvfkP9DWRH
InChI InChI=1S/C34H30N2O6S3/c37-43(38,30-12-4-1-5-13-30)23-20-33-34(45(41,42)32-16-8-3-9-17-32)26-29-19-18-28(36(29)33)25-27-11-10-21-35(27)22-24-44(39,40)31-14-6-2-7-15-31/h1-19,21,25-26H,20,22-24H2/b28-25+
InChIKey GPHHFUBPGNNBOE-AZPGRJICSA-N
Mol Weight 658.8 g/mol
Molecular Formula C34H30N2O6S3
Exact Mass 658.1266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dfpuPpB7dp
Name 3H-Pyrrolizine, 6-(phenylsulfonyl)-5-[2-(phenylsulfonyl)ethyl]-3-[[1-[2-(phenylsulfon yl)ethyl]-1H-pyrrol-2-yl]methylene]-
CAS Registry Number 90909-83-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H30N2O6S3
InChI InChI=1S/C34H30N2O6S3/c37-43(38,30-12-4-1-5-13-30)23-20-33-34(45(41,42)32-16-8-3-9-17-32)26-29-19-18-28(36(29)33)25-27-11-10-21-35(27)22-24-44(39,40)31-14-6-2-7-15-31/h1-19,21,25-26H,20,22-24H2/b28-25+
InChIKey GPHHFUBPGNNBOE-AZPGRJICSA-N
Molecular Weight 658.802 g/mol
SMILES c1(S(=O)(=O)c2ccccc2)c([n]2\C(=C\c3[n](CCS(=O)(=O)c4ccccc4)ccc3)C=Cc2c1)CCS(=O)(=O)c1ccccc1
SPLASH splash10-01c1-0090010000-19d8414fe38a682ebca2
Source of Spectrum K-117-1434-0
Synonyms (3E)-6-(phenylsulfonyl)-5-[2-(phenylsulfonyl)ethyl]-3-({1-[2-(phenylsulfonyl)ethyl]-1H-pyrrol-2-yl}methylene)-3H-pyrrolo[1,2-a]pyrrole 6-(Phenylsulfonyl)-5-[2-(phenylsulfonyl)ethyl]-3-[[1-[2-(phenylsulfonyl)ethyl]-2-pyrrolyl]methylene]pyrrolizine
Wiley ID 1413472