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Diethyl 2-{[2-(bromomethyl)benzo[b]thiophen-3-yl]methylene}malonate
SpectraBase Compound ID 7U8pYN9cxZ
InChI InChI=1S/C17H17BrO4S/c1-3-21-16(19)13(17(20)22-4-2)9-12-11-7-5-6-8-14(11)23-15(12)10-18/h5-9H,3-4,10H2,1-2H3
InChIKey JWQCVLNLIOINEJ-UHFFFAOYSA-N
Mol Weight 397.28 g/mol
Molecular Formula C17H17BrO4S
Exact Mass 396.003093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GR1PJwupRuh
Name Diethyl 2-{[2-(bromomethyl)benzo[b]thiophen-3-yl]methylene}malonate
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Formula C17H17BrO4S
InChI InChI=1S/C17H17BrO4S/c1-3-21-16(19)13(17(20)22-4-2)9-12-11-7-5-6-8-14(11)23-15(12)10-18/h5-9H,3-4,10H2,1-2H3
InChIKey JWQCVLNLIOINEJ-UHFFFAOYSA-N
Molecular Weight 397.283 g/mol
SMILES C(=Cc1c(sc2c1cccc2)CBr)(C(=O)OCC)C(=O)OCC
SPLASH splash10-00xs-0079000000-6360d9dd9b92db050c47
Source of Spectrum F-59-1478-5
Synonyms 2-[[2-(bromomethyl)-1-benzothiophen-3-yl]methylidene]propanedioic acid diethyl ester Diethyl 2-[[2-(bromomethyl)benzothiophen-3-yl]methylene]propanedioate Diethyl 2-[[2-(bromomethyl)-1-benzothiophen-3-yl]methylidene]propanedioate
Wiley ID 1677215