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3-Bromo-2-[4-(ethoxycarbonyl)-3,5-hexadienyl]-4,6-dimethoxy-5-methylphenol
SpectraBase Compound ID DfEMl2g9bmT
InChI InChI=1S/C18H23BrO5/c1-6-12(18(21)24-7-2)9-8-10-13-14(19)16(22-4)11(3)17(23-5)15(13)20/h6,9,20H,1,7-8,10H2,2-5H3/b12-9+
InChIKey RHPRLXBGZCYOLA-FMIVXFBMSA-N
Mol Weight 399.28 g/mol
Molecular Formula C18H23BrO5
Exact Mass 398.072887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8lzV7KeqGE2
Name 3-Bromo-2-[4-(ethoxycarbonyl)-3,5-hexadienyl]-4,6-dimethoxy-5-methylphenol
Alternate Name(s) Ethyl (2E)-5-(2-bromo-6-hydroxy-3,5-dimethoxy-4-methylphenyl)-2-vinyl-2-pentenoate
CAS Registry Number 109035-18-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23BrO5
InChI InChI=1S/C18H23BrO5/c1-6-12(18(21)24-7-2)9-8-10-13-14(19)16(22-4)11(3)17(23-5)15(13)20/h6,9,20H,1,7-8,10H2,2-5H3/b12-9+
InChIKey RHPRLXBGZCYOLA-FMIVXFBMSA-N
Molecular Weight 399.281 g/mol
SMILES Oc1c(c(c(OC)c(c1OC)C)Br)CC\C=C\(C(=O)OCC)C=C
SPLASH splash10-014i-0911100000-83fffc5979b1d57d87a3
Source of Spectrum J-52-3965-47
Wiley ID 1368217