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2-[[3-(bromomethyl)-2-thienyl]methylene]malonic acid diethyl ester
SpectraBase Compound ID KLZ347tXJFx
InChI InChI=1S/C13H15BrO4S/c1-3-17-12(15)10(13(16)18-4-2)7-11-9(8-14)5-6-19-11/h5-7H,3-4,8H2,1-2H3
InChIKey ADBJZPBDGYLFRT-UHFFFAOYSA-N
Mol Weight 347.22 g/mol
Molecular Formula C13H15BrO4S
Exact Mass 345.987443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KX2ZzuQFJaf
Name 2-[[3-(bromomethyl)-2-thienyl]methylene]malonic acid diethyl ester
CAS Registry Number 104085-30-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15BrO4S
InChI InChI=1S/C13H15BrO4S/c1-3-17-12(15)10(13(16)18-4-2)7-11-9(8-14)5-6-19-11/h5-7H,3-4,8H2,1-2H3
InChIKey ADBJZPBDGYLFRT-UHFFFAOYSA-N
Molecular Weight 347.223 g/mol
SMILES C(=Cc1c(ccs1)CBr)(C(=O)OCC)C(=O)OCC
SPLASH splash10-01bc-0492000000-6141632f9d9dbfb3c0a7
Source of Spectrum J-55-2448-4
Synonyms 2-[[3-(bromomethyl)-2-thiophenyl]methylidene]propanedioic acid diethyl ester Diethyl 2-[[3-(bromomethyl)-2-thienyl]methylene]propanedioate Diethyl 2-[[3-(bromomethyl)thiophen-2-yl]methylidene]propanedioate Diethyl 2-{[3-(bromomethyl)-2-thienyl]methylene}malonate
Wiley ID 1338897