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Benzo[3,4]phenanthro[1,2-b]thiophene, 11-methyl-
SpectraBase Compound ID 9vcO2EaGuCR
InChI InChI=1S/C21H14S/c1-13-6-8-15-14(12-13)7-9-19-20(15)17-5-3-2-4-16(17)18-10-11-22-21(18)19/h2-12H,1H3
InChIKey HQVJQVVUALMZAY-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 IaYNIpz0Odc
Name Benzo[3,4]phenanthro[1,2-b]thiophene, 11-methyl-
Alternate Name(s) 11-Methylbenzo[3,4]phenanthro[1,2-b]thiophene 11-methylbenzo[5,6]phenanthro[9,10-b]thiophene
CAS Registry Number 107971-21-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14S
InChI InChI=1S/C21H14S/c1-13-6-8-15-14(12-13)7-9-19-20(15)17-5-3-2-4-16(17)18-10-11-22-21(18)19/h2-12H,1H3
InChIKey HQVJQVVUALMZAY-UHFFFAOYSA-N
Molecular Weight 298.403 g/mol
SMILES c12c(c3sccc3c3c2cccc3)ccc2c1ccc(C)c2
SPLASH splash10-0002-0090000000-bdf034cb52cd9f7058d2
Source of Spectrum Y-23-1231-19
Wiley ID 1301580