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(2R,5R)-3-Acetyl-2,5-bis(p-ethylphenyl)-1-N-tosyl-1H-pyrrole
SpectraBase Compound ID Gqwh7Xhr32V
InChI InChI=1S/C29H31NO3S/c1-5-22-9-13-24(14-10-22)28-19-27(21(4)31)29(25-15-11-23(6-2)12-16-25)30(28)34(32,33)26-17-7-20(3)8-18-26/h7-19,28-29H,5-6H2,1-4H3/t28-,29-/m1/s1
InChIKey VEOAGVPTUPADRW-FQLXRVMXSA-N
Mol Weight 473.63 g/mol
Molecular Formula C29H31NO3S
Exact Mass 473.202465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kcWS1MKZeA
Name (2R,5R)-3-Acetyl-2,5-bis(p-ethylphenyl)-1-N-tosyl-1H-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H31NO3S
InChI InChI=1S/C29H31NO3S/c1-5-22-9-13-24(14-10-22)28-19-27(21(4)31)29(25-15-11-23(6-2)12-16-25)30(28)34(32,33)26-17-7-20(3)8-18-26/h7-19,28-29H,5-6H2,1-4H3/t28-,29-/m1/s1
InChIKey VEOAGVPTUPADRW-FQLXRVMXSA-N
Molecular Weight 473.631 g/mol
SMILES c1(S(N2[C@@](C(C(=O)C)=C[C@@]2(c2ccc(cc2)CC)[H])(c2ccc(cc2)CC)[H])(=O)=O)ccc(cc1)C
SPLASH splash10-004i-0090000000-afd4d7918995d6339968
Source of Spectrum K1-2002-699-2
Synonyms 1-{(2R,5R)-2,5-bis(4-ethylphenyl)-1-[(4-methylphenyl)sulfonyl]-2,5-dihydro-1H-pyrrol-3-yl}ethanone 3-Acetyl-2,5-bis(p-ethylphenyl)-1-N-tosyl-1H-pyrrole
Wiley ID 1522148