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2-Propenoic acid, 3-[2-(bromomethyl)-4-methoxyphenyl]-, ethyl ester, (E)-
SpectraBase Compound ID Ewxj8R3DzL9
InChI InChI=1S/C13H15BrO3/c1-3-17-13(15)7-5-10-4-6-12(16-2)8-11(10)9-14/h4-8H,3,9H2,1-2H3/b7-5+
InChIKey PZXNRKYQTWADDP-FNORWQNLSA-N
Mol Weight 299.16 g/mol
Molecular Formula C13H15BrO3
Exact Mass 298.020457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPevAAmUICy
Name 2-Propenoic acid, 3-[2-(bromomethyl)-4-methoxyphenyl]-, ethyl ester, (E)-
CAS Registry Number 100606-40-4
Comments Less than 3 mono-isotopic peaks
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Formula C13H15BrO3
InChI InChI=1S/C13H15BrO3/c1-3-17-13(15)7-5-10-4-6-12(16-2)8-11(10)9-14/h4-8H,3,9H2,1-2H3/b7-5+
InChIKey PZXNRKYQTWADDP-FNORWQNLSA-N
Molecular Weight 299.164 g/mol
SMILES C(\C=C\c1c(cc(cc1)OC)CBr)(=O)OCC
SPLASH splash10-0gba-0093000000-6b16afafc0a3545b7b54
Source of Spectrum J-51-1122-4
Synonyms ethyl (2E)-3-[2-(bromomethyl)-4-methoxyphenyl]-2-propenoate Ethyl (E)-3-[4-methoxy-2-(bromomethyl)phenyl]-2-propenoate
Wiley ID 1300580