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3-[(Methanethiosulfonyl)methyl]-1-oxyl-4-(pyren-1'-yl)-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole
SpectraBase Compound ID Jg38ejpKhRJ
InChI InChI=1S/C26H26NO3S2/c1-25(2)21(15-31-32(5,29)30)24(26(3,4)27(25)28)20-14-12-18-10-9-16-7-6-8-17-11-13-19(20)23(18)22(16)17/h6-14H,15H2,1-5H3
InChIKey WTPRBODHJTVIMR-UHFFFAOYSA-N
Mol Weight 465.63 g/mol
Molecular Formula C26H27NO3S2
Exact Mass 465.143236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ahgeu1vNNI6
Name 3-[(Methanethiosulfonyl)methyl]-1-oxyl-4-(pyren-1'-yl)-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26NO3S2
InChI InChI=1S/C26H26NO3S2/c1-25(2)21(15-31-32(5,29)30)24(26(3,4)27(25)28)20-14-12-18-10-9-16-7-6-8-17-11-13-19(20)23(18)22(16)17/h6-14H,15H2,1-5H3
InChIKey WTPRBODHJTVIMR-UHFFFAOYSA-N
Molecular Weight 465.626 g/mol
SMILES ON1C(C(=C(C1(C)C)CSS(=O)(=O)C)c1c2c3c4c(cccc4cc2)ccc3cc1)(C)C
SPLASH splash10-0006-9020100000-354c4dc27e57e3ae6fc6
Source of Spectrum AJ-43-85-14
Synonyms 1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-[(methylsulfonylthio)methyl]-4-(1-pyrenyl)pyrrole 1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)-4-pyren-1-ylpyrrole 1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)-4-pyren-1-yl-pyrrole
Wiley ID 1593769