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4-Chloro-3-nitroanisole

View entire compound with spectra: 4 NMR, 6 FTIR, and 1 MS (GC)

4-Chloro-3-nitroanisole
SpectraBase Compound ID 1xsJHbt3HM0
InChI InChI=1S/C7H6ClNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChIKey HISHUMDTGXICEZ-UHFFFAOYSA-N
Mol Weight 187.58 g/mol
Molecular Formula C7H6ClNO3
Exact Mass 187.003621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqWbIcXtVW5
Name Benzene, 1-chloro-4-methoxy-2-nitro-
Alternate Name(s) 1-Chloranyl-4-methoxy-2-nitro-benzene 1-Chloro-4-methoxy-2-nitro-benzene 4-Chloro-3-nitroanisole Anisole, 4-chloro-3-nitro- BRN 0640872 EINECS 233-674-1 NSC 47339
CAS Registry Number 10298-80-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6ClNO3
InChI InChI=1S/C7H6ClNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChIKey HISHUMDTGXICEZ-UHFFFAOYSA-N
Molecular Weight 187.582 g/mol
SMILES c1(N(=O)=O)cc(ccc1Cl)OC
SPLASH splash10-01t9-8900000000-b257c5001e2ad032fb73
Source of Spectrum W5-1988-14942-0
Wiley ID 1183612