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2-Thiono-8-methoxy-psoralen

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2-Thiono-8-methoxy-psoralen
SpectraBase Compound ID 9wKD3zpdA1r
InChI InChI=1S/C12H8O3S/c1-13-12-10-8(4-5-14-10)6-7-2-3-9(16)15-11(7)12/h2-6H,1H3
InChIKey PAGXNNWUSDPOFA-UHFFFAOYSA-N
Mol Weight 232.25 g/mol
Molecular Formula C12H8O3S
Exact Mass 232.019415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 93ZGyyV2knQ
Name 2-Thiono-8-methoxy-psoralen
CAS Registry Number 72142-97-3
Comments FROM EARLIER PAPER BY DUDDECK
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H8O3S
InChI InChI=1S/C12H8O3S/c1-13-12-10-8(4-5-14-10)6-7-2-3-9(16)15-11(7)12/h2-6H,1H3
InChIKey PAGXNNWUSDPOFA-UHFFFAOYSA-N
Literature Reference H. Duddeck, M. Kaiser, Org. Magn. Resonance 20, 55 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6