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N-{2-(3,4-Dimethoxyphenyl)ethyl}-(3-bromo-4-nitro-phenyl)acetamide
SpectraBase Compound ID HWhmQrMf4tV
InChI InChI=1S/C18H19BrN2O5/c1-25-16-6-4-12(10-17(16)26-2)7-8-20-18(22)11-13-3-5-15(21(23)24)14(19)9-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)
InChIKey ZSDJYTNWXHZOFS-UHFFFAOYSA-N
Mol Weight 423.26 g/mol
Molecular Formula C18H19BrN2O5
Exact Mass 422.047735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5PYkZ8MDGfa
Name N-{2-(3,4-Dimethoxyphenyl)ethyl}-(3-bromo-4-nitro-phenyl)acetamide
Alternate Name(s) 2-(3-bromo-4-nitrophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide 2-(3-bromo-4-nitro-phenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide 2-(3-bromanyl-4-nitro-phenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19BrN2O5
InChI InChI=1S/C18H19BrN2O5/c1-25-16-6-4-12(10-17(16)26-2)7-8-20-18(22)11-13-3-5-15(21(23)24)14(19)9-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)
InChIKey ZSDJYTNWXHZOFS-UHFFFAOYSA-N
Molecular Weight 423.263 g/mol
SMILES N(C(Cc1ccc([N+]([O-])=O)c(c1)Br)=O)CCc1cc(OC)c(cc1)OC
SPLASH splash10-03di-0900100000-dfff4540135a08552291
Source of Spectrum F-52-14743-18
Wiley ID 799588