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3-[(2-Methyl-1,3-dithiolan-2-yl)methyl]isochromen-1-one
SpectraBase Compound ID CdmOYZqBHi9
InChI InChI=1S/C14H14O2S2/c1-14(17-6-7-18-14)9-11-8-10-4-2-3-5-12(10)13(15)16-11/h2-5,8H,6-7,9H2,1H3
InChIKey HKDAQUFPOQOHMO-UHFFFAOYSA-N
Mol Weight 278.38 g/mol
Molecular Formula C14H14O2S2
Exact Mass 278.043522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6CKb9edYjkS
Name 3-[(2-Methyl-1,3-dithiolan-2-yl)methyl]isochromen-1-one
Alternate Name(s) 3-[(2-methyl-1,3-dithiolan-2-yl)methyl]-2-benzopyran-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O2S2
InChI InChI=1S/C14H14O2S2/c1-14(17-6-7-18-14)9-11-8-10-4-2-3-5-12(10)13(15)16-11/h2-5,8H,6-7,9H2,1H3
InChIKey HKDAQUFPOQOHMO-UHFFFAOYSA-N
Molecular Weight 278.384 g/mol
SMILES C1(OC(CC2(SCCS2)C)=Cc2c1cccc2)=O
SPLASH splash10-0670-9710000000-a9191bd6192e969d7025
Source of Spectrum U1-2010-3087-18
Wiley ID 1663829