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2-Methyl-5-phenyl-6a-thiathiophthene

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2-Methyl-5-phenyl-6a-thiathiophthene
SpectraBase Compound ID 89rCggZumiN
InChI InChI=1S/C12H10S3/c1-9-7-11-8-12(14-15(11)13-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey PLHURWKLVJJSMF-UHFFFAOYSA-N
Mol Weight 250.39 g/mol
Molecular Formula C12H10S3
Exact Mass 249.994464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IoTP3730XeX
Name 5-Methyl-2-phenyl-1,6,6a.lambda.4-trithia-pentalene
CAS Registry Number 1016-98-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H10S3
InChI InChI=1S/C12H10S3/c1-9-7-11-8-12(14-15(11)13-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey PLHURWKLVJJSMF-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference C.D. Pedersen, K. Schaumburg, Org. Magn. Resonance 6, 586 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3