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(3R,4S)-4-[1,3]Dithiolan-2-yl-2-oxo-chroman-3-carboxylic acid ethyl ester
SpectraBase Compound ID 9tgKaFyCJva
InChI InChI=1S/C15H16O4S2/c1-2-18-13(16)12-11(15-20-7-8-21-15)9-5-3-4-6-10(9)19-14(12)17/h3-6,11-12,15H,2,7-8H2,1H3/t11-,12-/m1/s1
InChIKey DXZBUBVTOOZWKO-VXGBXAGGSA-N
Mol Weight 324.41 g/mol
Molecular Formula C15H16O4S2
Exact Mass 324.049001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1CSdtLgFrCZ
Name (3R,4S)-4-[1,3]Dithiolan-2-yl-2-oxo-chroman-3-carboxylic acid ethyl ester
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Formula C15H16O4S2
InChI InChI=1S/C15H16O4S2/c1-2-18-13(16)12-11(15-20-7-8-21-15)9-5-3-4-6-10(9)19-14(12)17/h3-6,11-12,15H,2,7-8H2,1H3/t11-,12-/m1/s1
InChIKey DXZBUBVTOOZWKO-VXGBXAGGSA-N
Molecular Weight 324.409 g/mol
SMILES C1([C@]([C@](C2SCCS2)(c2c(O1)cccc2)[H])(C(=O)OCC)[H])=O
SPLASH splash10-00mk-0690000000-2ad400a81870686a57dd
Source of Spectrum KC-61-4126-27
Synonyms 2-Ethoxycarbonyl-1,2-dihydrocumarine-1-one Ethylenedithioacetal Ethyl (3R,4S)-4-(1,3-dithiolan-2-yl)-2-oxo-3,4-dihydro-2H-chromene-3-carboxylate
Wiley ID 1628787