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3-Bromo-benzoic acid
SpectraBase Compound ID 3aGBPIT0yzy
InChI InChI=1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey VOIZNVUXCQLQHS-UHFFFAOYSA-N
Mol Weight 201.02 g/mol
Molecular Formula C7H5BrO2
Exact Mass 199.947292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHNqeKb4ZnB
Name 3-Bromobenzoic acid
CAS Registry Number 272-49-1
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 199.947292399 u
Formula C7H5BrO2
InChI InChI=1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey VOIZNVUXCQLQHS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 201.019 g/mol
Nominal Mass 200 u
Quality 1000
Retention Index 1425
SMILES OC(C=1C=C(C=CC1)Br)=O
SPLASH splash10-0udi-5890000000-e86e22739be9ae2e3a6e
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-bromobenzoic acid
Technique GC/MS
Wiley ID DD2024_024281