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4-(Phenylseleno-methyl)-thiochroman-4-ol

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4-(Phenylseleno-methyl)-thiochroman-4-ol
SpectraBase Compound ID F3G6TSJBnyE
InChI InChI=1S/C16H16OSSe/c17-16(12-19-13-6-2-1-3-7-13)10-11-18-15-9-5-4-8-14(15)16/h1-9,17H,10-12H2
InChIKey PDUUEGDTYLYEDW-UHFFFAOYSA-N
Mol Weight 335.33 g/mol
Molecular Formula C16H16OSSe
Exact Mass 336.008708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1pBY7msFKDd
Name 4-(Phenylseleno-methyl)-thiochroman-4-ol
CAS Registry Number 129603-36-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H16OSSe
InChI InChI=1S/C16H16OSSe/c17-16(12-19-13-6-2-1-3-7-13)10-11-18-15-9-5-4-8-14(15)16/h1-9,17H,10-12H2
InChIKey PDUUEGDTYLYEDW-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference S. Uemura, K. Ohe, N. Sugita, J. Chem. Soc. Perkin I 1697 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3