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4-(1-benzothiophen-2-yl)-2-chloranyl-6-(1-methylpyrrol-2-yl)pyrimidine
SpectraBase Compound ID 6YBWwY7ec7Y
InChI InChI=1S/C17H12ClN3S/c1-21-8-4-6-14(21)12-10-13(20-17(18)19-12)16-9-11-5-2-3-7-15(11)22-16/h2-10H,1H3
InChIKey IWZUIOIZDMMHPQ-UHFFFAOYSA-N
Mol Weight 325.82 g/mol
Molecular Formula C17H12ClN3S
Exact Mass 325.044046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNDMX8kI6DS
Name 4-(1-benzothiophen-2-yl)-2-chloranyl-6-(1-methylpyrrol-2-yl)pyrimidine
Alternate Name(s) 4-(1-benzothiophen-2-yl)-2-chloro-6-(1-methyl-2-pyrrolyl)pyrimidine 4-(1-benzothiophen-2-yl)-2-chloro-6-(1-methylpyrrol-2-yl)pyrimidine 4-(benzothiophen-2-yl)-2-chloro-6-(1-methylpyrrol-2-yl)pyrimidine
CAS Registry Number 131022-73-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12ClN3S
InChI InChI=1S/C17H12ClN3S/c1-21-8-4-6-14(21)12-10-13(20-17(18)19-12)16-9-11-5-2-3-7-15(11)22-16/h2-10H,1H3
InChIKey IWZUIOIZDMMHPQ-UHFFFAOYSA-N
Molecular Weight 325.817 g/mol
SMILES c1(sc2ccccc2c1)-c1nc(Cl)nc(c1)-c1[n](ccc1)C
SPLASH splash10-00b9-0009000000-3833684374b036e43822
Source of Spectrum Y-27-1397-22
Wiley ID 1323915