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1,11-Methanothiomethano-5H,7H-dibenzo(bg)(1,5)dithiocin S1-oxide

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1,11-Methanothiomethano-5H,7H-dibenzo(bg)(1,5)dithiocin S1-oxide
SpectraBase Compound ID GU4NPSv7VRU
InChI InChI=1S/C16H14OS3/c17-20-9-13-5-1-3-11-7-18-8-12-4-2-6-14(10-20)16(12)19-15(11)13/h1-6H,7-10H2
InChIKey HMWZROPPPUDELE-UHFFFAOYSA-N
Mol Weight 318.47 g/mol
Molecular Formula C16H14OS3
Exact Mass 318.020679 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KuQr2BTbqzw
Name 1,11-Methanothiomethano-5H,7H-dibenzo(bg)(1,5)dithiocin S1-oxide
CAS Registry Number 112421-52-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H14OS3
InChI InChI=1S/C16H14OS3/c17-20-9-13-5-1-3-11-7-18-8-12-4-2-6-14(10-20)16(12)19-15(11)13/h1-6H,7-10H2
InChIKey HMWZROPPPUDELE-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference H. Fujihara, J. Chiu, N. Furukawa, J. Am. Chem. Soc. 110, 1280 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3