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5-Bromo-salicylic acid, methyl ester
SpectraBase Compound ID F5i3JEbaKY9
InChI InChI=1S/C8H7BrO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3
InChIKey FJYDBKPPGRZSOZ-UHFFFAOYSA-N
Mol Weight 231.04 g/mol
Molecular Formula C8H7BrO3
Exact Mass 229.957857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JM3yhXMsbec
Name 5-Bromosalicylic acid ME
Classification Antiseptic
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Exact Mass 229.957857082 u
Formula C8H7BrO3
InChI InChI=1S/C8H7BrO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3
InChIKey FJYDBKPPGRZSOZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 231.045 g/mol
SMILES c1c(C(OC)=O)c(O)ccc1Br
SPLASH splash10-0uea-4970000000-f0f403bd731b1e584b73
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_1997