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m-chlorobenzoic acid, methyl ester
SpectraBase Compound ID Cs8IIgCVC5d
InChI InChI=1S/C8H7ClO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
InChIKey XRDRKVPNHIWTBX-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 2ThweTnNdoI
Name Benzoic acid, 3-chloro-, methyl ester
Alternate Name(s) 3-Chlorobenzoic acid methyl ester 3-Cl-C6H4-COOCH3 Benzoic acid, m-chloro-, methyl ester m-Chlorobenzoic acid methyl ester Methyl 3-chloranylbenzoate Methyl 3-chlorobenzoate Methyl m-chlorobenzoate EINECS 220-814-1 HSDB 5465
CAS Registry Number 2905-65-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7ClO2
InChI InChI=1S/C8H7ClO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
InChIKey XRDRKVPNHIWTBX-UHFFFAOYSA-N
Molecular Weight 170.595 g/mol
SMILES C(c1cc(ccc1)Cl)(=O)OC
SPLASH splash10-007c-0900000000-6130eff83b1ac48a7b7c
Source of Spectrum SK-20-3132-23
Wiley ID 851605