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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 fjwi1umQMK
Name 4-(2-Carboxy-1-methylethoxy)-3-nitrobenzoic acid
CAS Registry Number 145220-46-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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 269.209 g/mol
SMILES OC(c1ccc(OC(CC(=O)O)C)c(c1)N(=O)=O)=O
SPLASH splash10-0006-9200000000-88e920f5749a54e31aa9
Synonyms 3-Nitro-4-(4-oxidanyl-4-oxidanylidene-butan-2-yl)oxy-benzoic acid 4-(4-hydroxy-4-oxobutan-2-yl)oxy-3-nitrobenzoic acid 4-(1-carboxypropan-2-yloxy)-3-nitrobenzoic acid
Wiley ID 1475614