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Benzenebutanoic acid, 4-nitro-, methyl ester
SpectraBase Compound ID EXBMZxGLHZl
InChI InChI=1S/C11H13NO4/c1-16-11(13)4-2-3-9-5-7-10(8-6-9)12(14)15/h5-8H,2-4H2,1H3
InChIKey IIDUVWAKHMUVPN-UHFFFAOYSA-N
Mol Weight 223.23 g/mol
Molecular Formula C11H13NO4
Exact Mass 223.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K27R4mCqzaf
Name Benzenebutanoic acid, 4-nitro-, methyl ester
Alternate Name(s) Methyl 4-(4-nitrophenyl)butanoate 4-(4-Nitrophenyl)butanoic acid methyl ester 4-(4-nitrophenyl)butyric acid methyl ester Butyric acid, 4-(p-nitrophenyl)-, methyl ester
CAS Registry Number 20637-02-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO4
InChI InChI=1S/C11H13NO4/c1-16-11(13)4-2-3-9-5-7-10(8-6-9)12(14)15/h5-8H,2-4H2,1H3
InChIKey IIDUVWAKHMUVPN-UHFFFAOYSA-N
Molecular Weight 223.228 g/mol
SMILES COC(CCCc1ccc(cc1)N(=O)=O)=O
SPLASH splash10-00di-6930000000-9f7ca43311b563885f32
Source of Spectrum A-1-135-1
Wiley ID 1223856