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4-chloro-2-nitro-benzoic acid methyl ester
SpectraBase Compound ID DTlM72d832W
InChI InChI=1S/C8H6ClNO4/c1-14-8(11)6-3-2-5(9)4-7(6)10(12)13/h2-4H,1H3
InChIKey JWOSXVMUUBWGOL-UHFFFAOYSA-N
Mol Weight 215.59 g/mol
Molecular Formula C8H6ClNO4
Exact Mass 214.998535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KLDIXoA3Zp
Name Benzoic acid, 4-chloro-2-nitro-, methyl ester
Alternate Name(s) 2-Nitro-4-chlorobenzoic acid methyl ester 4-Chloro-2-nitro-benzoic acid methyl ester Methyl 4-chloranyl-2-nitro-benzoate Methyl 4-chloro-2-nitro-benzoate 4-Chloro-2-nitrobenzoic acid methyl ester EINECS 255-654-1 NSC 17028
CAS Registry Number 42087-80-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClNO4
InChI InChI=1S/C8H6ClNO4/c1-14-8(11)6-3-2-5(9)4-7(6)10(12)13/h2-4H,1H3
InChIKey JWOSXVMUUBWGOL-UHFFFAOYSA-N
Molecular Weight 215.592 g/mol
SMILES COC(=O)c1c(N(=O)=O)cc(Cl)cc1
SPLASH splash10-003r-4910000000-9ac1353e1ade873c688f
Source of Spectrum W5-1989-26600-1
Wiley ID 1214318