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2-THIONO-5-METHOXYPSORALEN

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2-THIONO-5-METHOXYPSORALEN
SpectraBase Compound ID DGCjegfeBfa
InChI InChI=1S/C12H8O3S/c1-13-12-7-2-3-11(16)15-10(7)6-9-8(12)4-5-14-9/h2-6H,1H3
InChIKey XVIRWYOWEXLUJI-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 2D92hW0rw22
Name Thiobergapten
CAS Registry Number 70598-77-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H8O3S
InChI InChI=1S/C12H8O3S/c1-13-12-7-2-3-11(16)15-10(7)6-9-8(12)4-5-14-9/h2-6H,1H3
InChIKey XVIRWYOWEXLUJI-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference M. Elgamal, N. Elewa, Phytochem. 18, 139 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6