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(2-Bromo-4,5-dimethoxyphenyl)methyl iso-butyrate
SpectraBase Compound ID kG0grU1yzL
InChI InChI=1S/C13H17BrO4/c1-8(2)13(15)18-7-9-5-11(16-3)12(17-4)6-10(9)14/h5-6,8H,7H2,1-4H3
InChIKey JFBCWELYJNSPJB-UHFFFAOYSA-N
Mol Weight 317.18 g/mol
Molecular Formula C13H17BrO4
Exact Mass 316.031022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXcKh5wvYpc
Name (2-Bromo-4,5-dimethoxyphenyl)methyl iso-butyrate
Classification Designer drug side product derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 316.031022023 u
Formula C13H17BrO4
InChI InChI=1S/C13H17BrO4/c1-8(2)13(15)18-7-9-5-11(16-3)12(17-4)6-10(9)14/h5-6,8H,7H2,1-4H3
InChIKey JFBCWELYJNSPJB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 317.179 g/mol
Nominal Mass 316 u
Quality 976
Retention Index 1944
SMILES C=1(C(=CC(=C(C1)OC)OC)Br)COC(C(C)C)=O
SPLASH splash10-0006-9330000000-e1b6dfc74f69b7245491
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (2-Bromo-4,5-dimethoxyphenyl)methyl-2-methyl propanoate 2-bromo-4,5-dimethoxybenzyl 2-methylpropanoate
Technique GC/MS
Wiley ID DD2024_009077