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3,4-Dihydro-5-(3-iodo-1-(4-methylphenylsulfonyl)pyrrol-2-yl)-2H-pyrrole
SpectraBase Compound ID 3pWh6IOw2xP
InChI InChI=1S/C15H15IN2O2S/c1-11-4-6-12(7-5-11)21(19,20)18-10-8-13(16)15(18)14-3-2-9-17-14/h4-8,10H,2-3,9H2,1H3
InChIKey PNWDDQMYMIYKEZ-UHFFFAOYSA-N
Mol Weight 414.26 g/mol
Molecular Formula C15H15IN2O2S
Exact Mass 413.989894 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 862kLBAPRl8
Name 3,4-Dihydro-5-(3-iodo-1-(4-methylphenylsulfonyl)pyrrol-2-yl)-2H-pyrrole
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.989893903 u
Formula C15H15IN2O2S
InChI InChI=1S/C15H15IN2O2S/c1-11-4-6-12(7-5-11)21(19,20)18-10-8-13(16)15(18)14-3-2-9-17-14/h4-8,10H,2-3,9H2,1H3
InChIKey PNWDDQMYMIYKEZ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0001.318
Molecular Weight 414.261 g/mol
Reported Formula C15H15IN2O2S
SMILES C=1(N(S(C2=CC=C(C=C2)C)(=O)=O)C=CC1I)C=1CCCN1
SPLASH splash10-0006-9003000000-123dd2bf4cdf98807708
Source of Spectrum ARK-2000-368-9b (DOI: 10.3998/ark.5550190.0001.318)
Wiley ID 1908502