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2-(3-Carbomethoxyphenyl)-1,3-dithiane
SpectraBase Compound ID 5ifPcUaDV6K
InChI InChI=1S/C12H14O2S2/c1-14-11(13)9-4-2-5-10(8-9)12-15-6-3-7-16-12/h2,4-5,8,12H,3,6-7H2,1H3
InChIKey WFFYYPHJAHTHHQ-UHFFFAOYSA-N
Mol Weight 254.36 g/mol
Molecular Formula C12H14O2S2
Exact Mass 254.043522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAENrRVom2Y
Name 2-(3-Carbomethoxyphenyl)-1,3-dithiane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S2
InChI InChI=1S/C12H14O2S2/c1-14-11(13)9-4-2-5-10(8-9)12-15-6-3-7-16-12/h2,4-5,8,12H,3,6-7H2,1H3
InChIKey WFFYYPHJAHTHHQ-UHFFFAOYSA-N
Molecular Weight 254.362 g/mol
SMILES C1(c2cc(C(=O)OC)ccc2)SCCCS1
SPLASH splash10-0fk9-3980000000-170ea048097110dbfe9a
Source of Spectrum QB-13-446-0
Synonyms Methyl 3-(1,3-dithian-2-yl)benzoate
Wiley ID 840996