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Chlorobenzoic acid, methyl ester
SpectraBase Compound ID 972nIIBb2xe
InChI InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChIKey LXNFVVDCCWUUKC-UHFFFAOYSA-N
Mol Weight 170.59 g/mol
Molecular Formula C8H7ClO2
Exact Mass 170.013457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHWrKdo4qZM
Name 4-Chlorobenzoic acid methyl ester
CAS Registry Number 1126-46-1
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one 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 170.013457163 u
Formula C8H7ClO2
InChI InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChIKey LXNFVVDCCWUUKC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 170.595 g/mol
Nominal Mass 170 u
Quality 982
Retention Index 1181
SMILES C=1(C(OC)=O)C=CC(=CC1)Cl
SPLASH splash10-01p9-2900000000-f1f8509fd774e991f36e
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Moclobemide-M methyl 4-chloro benzoate
Technique GC/MS
Wiley ID DD2024_032492