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3-Bromo[1-13C]benzoic acid
SpectraBase Compound ID GCJSDK0OBbB
InChI InChI=1S/C7H5BrO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)/i4+1
InChIKey XMEQDAIDOBVHEK-AZXPZELESA-N
Mol Weight 218.01 g/mol
Molecular Formula C613CH5BrO3
Exact Mass 216.945562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7r10lPgxj7
Name 3-Bromo[1-13C]benzoic acid
Comments Original formula: C6[13C]H5BrO3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5BrO3
InChI InChI=1S/C7H5BrO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)/i4+1
InChIKey XMEQDAIDOBVHEK-AZXPZELESA-N
Molecular Weight 218.010 g/mol
SMILES OC([13c]1ccc(c(c1)Br)O)=O
SPLASH splash10-014i-2090000000-c931c107341ee240e014
Source of Spectrum SO-0-1049-8
Synonyms 3-Bromo-4-hydroxy[1-¹³C]benzoic acid
Wiley ID 875590