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3-(A-[2-Amino-phenylthio]-benzyl)-thiochroman-4-one

View entire compound with spectra: 1 NMR

3-(A-[2-Amino-phenylthio]-benzyl)-thiochroman-4-one
SpectraBase Compound ID E8gtAkpyM99
InChI InChI=1S/C22H19NOS2/c23-18-11-5-7-13-20(18)26-22(15-8-2-1-3-9-15)17-14-25-19-12-6-4-10-16(19)21(17)24/h1-13,17,22H,14,23H2
InChIKey QBWYRLWKDFPDME-UHFFFAOYSA-N
Mol Weight 377.52 g/mol
Molecular Formula C22H19NOS2
Exact Mass 377.090807 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BwNkQy2ggzY
Name 3-(A-[2-Amino-phenylthio]-benzyl)-thiochroman-4-one
CAS Registry Number 83671-49-2
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C22H19NOS2
InChI InChI=1S/C22H19NOS2/c23-18-11-5-7-13-20(18)26-22(15-8-2-1-3-9-15)17-14-25-19-12-6-4-10-16(19)21(17)24/h1-13,17,22H,14,23H2
InChIKey QBWYRLWKDFPDME-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference G. Toth, A. Szollosy, A. Levai, Org. Magn. Resonance 20, 133 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3