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3-Acetyl-1-tosylpyrrole
SpectraBase Compound ID 1MG3QhCfSdg
InChI InChI=1S/C13H13NO3S/c1-10-3-5-13(6-4-10)18(16,17)14-8-7-12(9-14)11(2)15/h3-9H,1-2H3
InChIKey NDOSNRLQNYYVKV-UHFFFAOYSA-N
Mol Weight 263.31 g/mol
Molecular Formula C13H13NO3S
Exact Mass 263.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zbcRdtBUVT
Name 3-Acetyl-1-tosylpyrrole
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.061614454 u
Formula C13H13NO3S
InChI InChI=1S/C13H13NO3S/c1-10-3-5-13(6-4-10)18(16,17)14-8-7-12(9-14)11(2)15/h3-9H,1-2H3
InChIKey NDOSNRLQNYYVKV-UHFFFAOYSA-N
Instrument Name Finnigan-MAT-95
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701502
Quality 123
Reported Formula C13H13O3N(32)S
SMILES C=1N(C=C(C1)C(=O)C)S(C1=CC=C(C=C1)C)(=O)=O
SPLASH splash10-0006-7910000000-de863e492d32427a01ac
Source of Spectrum K1-2018-SM14-27 (DOI: 10.1002/ejoc.201701502)
Thin-Layer Chromatography 0.36 (cyclohexane/EtOAc, 3:1)
Wiley ID 1891532