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Propanedioic acid, [(2-bromo-3,5-dimethoxyphenyl)methyl]-
SpectraBase Compound ID BXGxhqfFzUd
InChI InChI=1S/C12H13BrO6/c1-18-7-3-6(10(13)9(5-7)19-2)4-8(11(14)15)12(16)17/h3,5,8H,4H2,1-2H3,(H,14,15)(H,16,17)
InChIKey NNLZNAFKAZNOQA-UHFFFAOYSA-N
Mol Weight 333.13 g/mol
Molecular Formula C12H13BrO6
Exact Mass 331.989551 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ca0DFq3QBDP
Name Propanedioic acid, [(2-bromo-3,5-dimethoxyphenyl)methyl]-
CAS Registry Number 105705-35-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13BrO6
InChI InChI=1S/C12H13BrO6/c1-18-7-3-6(10(13)9(5-7)19-2)4-8(11(14)15)12(16)17/h3,5,8H,4H2,1-2H3,(H,14,15)(H,16,17)
InChIKey NNLZNAFKAZNOQA-UHFFFAOYSA-N
Molecular Weight 333.134 g/mol
SMILES OC(C(C(=O)O)Cc1c(c(OC)cc(c1)OC)Br)=O
SPLASH splash10-0006-9040000000-119039c878b12d66cb10
Source of Spectrum B-39-793-7
Synonyms 2-(2-bromo-3,5-dimethoxybenzyl)malonic acid 2-(2-Bromo-3,5-dimethoxybenzyl)propane-1,3-dioic acid
Wiley ID 1328990