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3-Chlorobenzoic acid
SpectraBase Compound ID EAOQ9USqV29
InChI InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey LULAYUGMBFYYEX-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 8FPP43PuNmK
Name Bupropion-M (-C6H15N)
CAS Registry Number 535-80-8
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); 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/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey LULAYUGMBFYYEX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 156.568 g/mol
Nominal Mass 156 u
Quality 990
Retention Index 1081
SMILES OC(C=1C=C(C=CC1)Cl)=O
SPLASH splash10-0bti-2900000000-a581e00f701ea5b3adb3
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoic acid,3-chloro- 3-chlorobenzoic acid
Technique GC/MS
Wiley ID DD2024_032478