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4-Chlorobenzoic acid
SpectraBase Compound ID C7xwMoP0zGZ
InChI InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey XRHGYUZYPHTUJZ-UHFFFAOYSA-N
Mol Weight 156.57 g/mol
Molecular Formula C7H5ClO2
Exact Mass 155.997807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2n0hy8c3sky
Name 4-Chlorobenzoic acid
CAS Registry Number 3686-66-6
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 155.997807099 u
Formula C7H5ClO2
InChI InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey XRHGYUZYPHTUJZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 156.568 g/mol
Nominal Mass 156 u
Quality 992
Retention Index 1336
SMILES OC(C1=CC=C(C=C1)Cl)=O
SPLASH splash10-06ri-2900000000-42e019111c76068a442c
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoic acid,3-chloro- Benzoic acid,4-chloro- p-Chlorobenzoic acid
Technique GC/MS
Wiley ID DD2024_009167