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(Z)-2-Bromomethyl-3-(2-p-tolyloxy-phenyl)-acrylic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(Z)-2-Bromomethyl-3-(2-p-tolyloxy-phenyl)-acrylic acid methyl ester
SpectraBase Compound ID JWr4HA8ZOmu
InChI InChI=1S/C18H17BrO3/c1-13-7-9-16(10-8-13)22-17-6-4-3-5-14(17)11-15(12-19)18(20)21-2/h3-11H,12H2,1-2H3/b15-11+
InChIKey AEPJERNMPAOSMZ-RVDMUPIBSA-N
Mol Weight 361.24 g/mol
Molecular Formula C18H17BrO3
Exact Mass 360.036107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CDDavgejIef
Name (Z)-2-Bromomethyl-3-(2-p-tolyloxy-phenyl)-acrylic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.036107404 u
Formula C18H17BrO3
InChI InChI=1S/C18H17BrO3/c1-13-7-9-16(10-8-13)22-17-6-4-3-5-14(17)11-15(12-19)18(20)21-2/h3-11H,12H2,1-2H3/b15-11+
InChIKey AEPJERNMPAOSMZ-RVDMUPIBSA-N
Molecular Weight 361.235 g/mol
SMILES C=1(\C=C\(C(=O)OC)CBr)C(OC2=CC=C(C=C2)C)=CC=CC1