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Benzo[3,4]phenanthro[1,2-b]thiophene, 1-methyl-
SpectraBase Compound ID 4WaODqda3KM
InChI InChI=1S/C21H14S/c1-13-5-4-8-16-17-11-12-22-21(17)18-10-9-14-6-2-3-7-15(14)20(18)19(13)16/h2-12H,1H3
InChIKey JKICDYOQNBUZGL-UHFFFAOYSA-N
Mol Weight 298.4 g/mol
Molecular Formula C21H14S
Exact Mass 298.081622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BI3LCmmZ6ZV
Name Benzo[3,4]phenanthro[1,2-b]thiophene, 1-methyl-
Alternate Name(s) 1-Methylbenzo[3,4]phenanthro[1,2-b]thiophene 1-methylbenzo[5,6]phenanthro[9,10-b]thiophene
CAS Registry Number 107971-28-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14S
InChI InChI=1S/C21H14S/c1-13-5-4-8-16-17-11-12-22-21(17)18-10-9-14-6-2-3-7-15(14)20(18)19(13)16/h2-12H,1H3
InChIKey JKICDYOQNBUZGL-UHFFFAOYSA-N
Molecular Weight 298.403 g/mol
SMILES c12c(c3sccc3c3c2c(ccc3)C)ccc2c1cccc2
SPLASH splash10-0002-0090000000-7ef1a41cf843164d1600
Source of Spectrum Y-23-1231-28
Wiley ID 1301582