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4-(3-Methylene-1,4-dithiepan-2-yl)benzoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

4-(3-Methylene-1,4-dithiepan-2-yl)benzoic acid methyl ester
SpectraBase Compound ID FHGp2RtfB8u
InChI InChI=1S/C14H16O2S2/c1-10-13(18-9-3-8-17-10)11-4-6-12(7-5-11)14(15)16-2/h4-7,13H,1,3,8-9H2,2H3
InChIKey GDANGBHAEFRONC-UHFFFAOYSA-N
Mol Weight 280.4 g/mol
Molecular Formula C14H16O2S2
Exact Mass 280.059172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BzCR1hxAg8
Name 4-(3-Methylene-1,4-dithiepan-2-yl)benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2S2
InChI InChI=1S/C14H16O2S2/c1-10-13(18-9-3-8-17-10)11-4-6-12(7-5-11)14(15)16-2/h4-7,13H,1,3,8-9H2,2H3
InChIKey GDANGBHAEFRONC-UHFFFAOYSA-N
Molecular Weight 280.400 g/mol
SMILES C1(C(SCCCS1)c1ccc(C(=O)OC)cc1)=C
SPLASH splash10-0a4i-0900000000-15fd5564277a742a49f1
Source of Spectrum J-66-1898-3
Synonyms Methyl 4-(3-methylene-1,4-dithiepan-2-yl)benzoate Methyl 4-(3-methylidene-1,4-dithiepan-2-yl)benzoate
Wiley ID 1534814