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Diethyl 4-(bromomethyl)-2-phenyl-5-thiazolylmethylidenemalonate
SpectraBase Compound ID 3cfvMmT51E8
InChI InChI=1S/C18H18BrNO4S/c1-3-23-17(21)16(18(22)24-4-2)15(14-10-20-11-25-14)13-7-5-12(9-19)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3
InChIKey UCDISZAOYPIRRU-UHFFFAOYSA-N
Mol Weight 424.31 g/mol
Molecular Formula C18H18BrNO4S
Exact Mass 423.013992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44Upthwotkr
Name Diethyl 4-(bromomethyl)-2-phenyl-5-thiazolylmethylidenemalonate
Alternate Name(s) Diethyl 2-[[4-(bromomethyl)phenyl](1,3-thiazol-5-yl)methylene]malonate
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Formula C18H18BrNO4S
InChI InChI=1S/C18H18BrNO4S/c1-3-23-17(21)16(18(22)24-4-2)15(14-10-20-11-25-14)13-7-5-12(9-19)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3
InChIKey UCDISZAOYPIRRU-UHFFFAOYSA-N
Molecular Weight 424.309 g/mol
SMILES C(=C(c1scnc1)c1ccc(cc1)CBr)(C(=O)OCC)C(=O)OCC
SPLASH splash10-006t-4895400000-7ad986fc6002e2ae8f3d
Source of Spectrum Y-35-74-16
Wiley ID 1378887