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3-(1,3-Dithian-2-yl)-4H-chromen-4-one
SpectraBase Compound ID 3PCQ1j5TAal
InChI InChI=1S/C13H12O2S2/c14-12-9-4-1-2-5-11(9)15-8-10(12)13-16-6-3-7-17-13/h1-2,4-5,8,13H,3,6-7H2
InChIKey LYYMYGNCESQRAA-UHFFFAOYSA-N
Mol Weight 264.36 g/mol
Molecular Formula C13H12O2S2
Exact Mass 264.027872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID hw97ybrpkv
Name 3-(1,3-Dithian-2-yl)-4H-chromen-4-one
Alternate Name(s) 3-(1,3-dithian-2-yl)-1-benzopyran-4-one 3-(1,3-dithian-2-yl)chromen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O2S2
InChI InChI=1S/C13H12O2S2/c14-12-9-4-1-2-5-11(9)15-8-10(12)13-16-6-3-7-17-13/h1-2,4-5,8,13H,3,6-7H2
InChIKey LYYMYGNCESQRAA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol403313h
Molecular Weight 264.357 g/mol
SMILES c1ccc2OC=C(C(c2c1)=O)C1SCCCS1
SPLASH splash10-03el-0690000000-a1a2528b37594c6e9286
Source of Spectrum A1-16-1036/SM-2m
Wiley ID 1749105