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5-(1,3-dithian-2-yl)-1,3-benzodioxole-4-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

5-(1,3-dithian-2-yl)-1,3-benzodioxole-4-carboxylic acid methyl ester
SpectraBase Compound ID 8sD8gJd8JhP
InChI InChI=1S/C13H14O4S2/c1-15-12(14)10-8(13-18-5-2-6-19-13)3-4-9-11(10)17-7-16-9/h3-4,13H,2,5-7H2,1H3
InChIKey BJMFFCGALUXZQI-UHFFFAOYSA-N
Mol Weight 298.37 g/mol
Molecular Formula C13H14O4S2
Exact Mass 298.033351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGR5afAkgvP
Name 5-(1,3-dithian-2-yl)-1,3-benzodioxole-4-carboxylic acid methyl ester
Alternate Name(s) Methyl 5-(1,3-dithian-2-yl)-1,3-benzodioxole-4-carboxylate
CAS Registry Number 110527-59-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O4S2
InChI InChI=1S/C13H14O4S2/c1-15-12(14)10-8(13-18-5-2-6-19-13)3-4-9-11(10)17-7-16-9/h3-4,13H,2,5-7H2,1H3
InChIKey BJMFFCGALUXZQI-UHFFFAOYSA-N
Molecular Weight 298.371 g/mol
SMILES c1(c(C2SCCCS2)ccc2c1OCO2)C(=O)OC
SPLASH splash10-0aos-0590000000-dc9682d77c81e014b5ac
Source of Spectrum F-42-6024-7
Wiley ID 1300575