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4-(2-Carboxy-1-methylethoxy)-3-nitrobenzoic acid

View entire compound with spectra: 2 MS (GC)

4-(2-Carboxy-1-methylethoxy)-3-nitrobenzoic acid
SpectraBase Compound ID 6K9eVrtVed5
InChI InChI=1S/C11H11NO7/c1-6(4-10(13)14)19-9-3-2-7(11(15)16)5-8(9)12(17)18/h2-3,5-6H,4H2,1H3,(H,13,14)(H,15,16)
InChIKey NJCQYPLXXZLEMB-UHFFFAOYSA-N
Mol Weight 269.21 g/mol
Molecular Formula C11H11NO7
Exact Mass 269.053552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KeSjwyGZh0
Name 4-(2-CARBOXY-1-METHYL-ETHOXY)-3-NITROBENZOIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H11NO7
InChI InChI=1S/C11H11NO7/c1-6(4-10(13)14)19-9-3-2-7(11(15)16)5-8(9)12(17)18/h2-3,5-6H,4H2,1H3,(H,13,14)(H,15,16)
InChIKey NJCQYPLXXZLEMB-UHFFFAOYSA-N
Molecular Weight 269.0532
SMILES OC(c1cc(c(OC(CC(O)=O)C)cc1)N(=O)=O)=O
SPLASH splash10-0006-9200000000-779e4e7852c88deb030d
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany