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Benzo[3,4]phenanthro[2,1-b]thiophene, 1-methyl-
SpectraBase Compound ID 8gUAaJgEWDy
InChI InChI=1S/C21H14S/c1-13-5-4-8-18-19(13)20-15-7-3-2-6-14(15)9-10-16(20)17-11-12-22-21(17)18/h2-12H,1H3
InChIKey FTZWVPRMICMWBB-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 AvzCzsGSKy3
Name Benzo[3,4]phenanthro[2,1-b]thiophene, 1-methyl-
CAS Registry Number 107971-33-5
Comments Less than 3 mono-isotopic peaks
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Formula C21H14S
InChI InChI=1S/C21H14S/c1-13-5-4-8-18-19(13)20-15-7-3-2-6-14(15)9-10-16(20)17-11-12-22-21(17)18/h2-12H,1H3
InChIKey FTZWVPRMICMWBB-UHFFFAOYSA-N
Molecular Weight 298.403 g/mol
SMILES c12c(c3ccsc3c3c2c(ccc3)C)ccc2c1cccc2
SPLASH splash10-0002-0090000000-96464dfb5a99d6d0ef14
Source of Spectrum Y-23-1232-33
Synonyms 1-Methylbenzo[3,4]phenanthro[2,1-b]thiophene 1-methylbenzo[3,4]phenanthro[9,10-b]thiophene
Wiley ID 1301583