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2-Pentenoic acid, 5-bromo-4-methoxy-, methyl ester, (E)-(.+-.)-
SpectraBase Compound ID ImbLz9QGj4D
InChI InChI=1S/C7H11BrO3/c1-10-6(5-8)3-4-7(9)11-2/h3-4,6H,5H2,1-2H3/b4-3+
InChIKey FCEBCHYHKFAVJQ-ONEGZZNKSA-N
Mol Weight 223.07 g/mol
Molecular Formula C7H11BrO3
Exact Mass 221.989157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzunU48pN6v
Name 2-Pentenoic acid, 5-bromo-4-methoxy-, methyl ester, (E)-(.+-.)-
CAS Registry Number 85858-53-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11BrO3
InChI InChI=1S/C7H11BrO3/c1-10-6(5-8)3-4-7(9)11-2/h3-4,6H,5H2,1-2H3/b4-3+
InChIKey FCEBCHYHKFAVJQ-ONEGZZNKSA-N
Molecular Weight 223.066 g/mol
SMILES C(\C=C\C(OC)CBr)(=O)OC
SPLASH splash10-004i-0900000000-ca5618b5e99ae21dd4df
Source of Spectrum F-38-2389-0
Synonyms Methyl (2E)-5-bromo-4-methoxy-2-pentenoate Methyl (E)-5-bromo-4-methoxy-2-pentenoate
Wiley ID 1221663