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3,4-Dihydro-5-(3-acetyl-1-(4-methylphenylsulfonyl)pyrrol-2-yl)-2H-pyrrole
SpectraBase Compound ID HDcfENNWrN9
InChI InChI=1S/C17H18N2O3S/c1-12-5-7-14(8-6-12)23(21,22)19-11-9-15(13(2)20)17(19)16-4-3-10-18-16/h5-9,11H,3-4,10H2,1-2H3
InChIKey QNQBLEJRKIPPKW-UHFFFAOYSA-N
Mol Weight 330.4 g/mol
Molecular Formula C17H18N2O3S
Exact Mass 330.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6itfT8NdJD
Name 3,4-Dihydro-5-(3-acetyl-1-(4-methylphenylsulfonyl)pyrrol-2-yl)-2H-pyrrole
Appearance Brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.103813619 u
Formula C17H18N2O3S
InChI InChI=1S/C17H18N2O3S/c1-12-5-7-14(8-6-12)23(21,22)19-11-9-15(13(2)20)17(19)16-4-3-10-18-16/h5-9,11H,3-4,10H2,1-2H3
InChIKey QNQBLEJRKIPPKW-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0001.318
Molecular Weight 330.402 g/mol
Quality 85
Reported Formula C17H17N2O
SMILES C=1(N(S(C2=CC=C(C=C2)C)(=O)=O)C=CC1C(=O)C)C=1CCCN1
SPLASH splash10-00o3-9652000000-0f035101861ddb69d2d6
Source of Spectrum ARK-2000-368-10 (DOI: 10.3998/ark.5550190.0001.318)
Wiley ID 1908494