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(2E)-1-(4-Iodophenyl)-3-[(4-methyl-2-pyrimidinyl)sulfanyl]-2-propen-1-one
SpectraBase Compound ID 3JY6pVu4ZOW
InChI InChI=1S/C14H11IN2OS/c1-10-6-8-16-14(17-10)19-9-7-13(18)11-2-4-12(15)5-3-11/h2-9H,1H3/b9-7+
InChIKey VJZLNECEYXRMBE-VQHVLOKHSA-N
Mol Weight 382.22 g/mol
Molecular Formula C14H11IN2OS
Exact Mass 381.963679 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J33v38qNuAL
Name (2E)-1-(4-Iodophenyl)-3-[(4-methyl-2-pyrimidinyl)sulfanyl]-2-propen-1-one
CAS Registry Number 277325-94-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11IN2OS
InChI InChI=1S/C14H11IN2OS/c1-10-6-8-16-14(17-10)19-9-7-13(18)11-2-4-12(15)5-3-11/h2-9H,1H3/b9-7+
InChIKey VJZLNECEYXRMBE-VQHVLOKHSA-N
Molecular Weight 382.219 g/mol
SMILES c1(nc(C)ccn1)S\C=C\C(c1ccc(cc1)I)=O
SPLASH splash10-0udi-6900000000-36f40c42eefc6f91f02b
Source of Spectrum AD-0-2532-0
Synonyms (E)-1-(4-iodophenyl)-3-(4-methylpyrimidin-2-yl)sulfanyl-prop-2-en-1-one (E)-1-(4-iodophenyl)-3-[(4-methyl-2-pyrimidinyl)thio]-2-propen-1-one (E)-1-(4-iodophenyl)-3-[(4-methylpyrimidin-2-yl)thio]prop-2-en-1-one Propenone, 1-(4-iodophenyl)-3-(4-methyl-2-pyrimidylthio)-
Wiley ID 1427287