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N-(Toluenesulfonyl)-5-(but-1'-ynyl)-2,5-dihydro-4-hydroxybenzo[3,4-f]pyrrole
SpectraBase Compound ID 2smsXqoebz7
InChI InChI=1S/C20H21NO3S/c1-3-4-5-6-16-9-10-17-13-21(14-19(17)20(16)22)25(23,24)18-11-7-15(2)8-12-18/h7-12,22H,3-4,13-14H2,1-2H3
InChIKey JILNXQMYFFCNHT-UHFFFAOYSA-N
Mol Weight 355.45 g/mol
Molecular Formula C20H21NO3S
Exact Mass 355.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gd300zixxBt
Name N-(Toluenesulfonyl)-5-(but-1'-ynyl)-2,5-dihydro-4-hydroxybenzo[3,4-f]pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO3S
InChI InChI=1S/C20H21NO3S/c1-3-4-5-6-16-9-10-17-13-21(14-19(17)20(16)22)25(23,24)18-11-7-15(2)8-12-18/h7-12,22H,3-4,13-14H2,1-2H3
InChIKey JILNXQMYFFCNHT-UHFFFAOYSA-N
Molecular Weight 355.452 g/mol
SMILES Oc1c2CN(S(c3ccc(cc3)C)(=O)=O)Cc2ccc1C#CCCC
SPLASH splash10-006t-0902000000-f28665e321fcac43b469
Source of Spectrum OL-2001-3771-11
Wiley ID 850150