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2-(isopentyloxy)-5-nitrobenzoic acid
SpectraBase Compound ID FxY5FBQtcNJ
InChI InChI=1S/C12H15NO5/c1-8(2)5-6-18-11-4-3-9(13(16)17)7-10(11)12(14)15/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKey MEZGEJVELIMPIT-UHFFFAOYSA-N
Mol Weight 253.25 g/mol
Molecular Formula C12H15NO5
Exact Mass 253.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AN7w6W3Pky
Name 2-(isopentyloxy)-5-nitrobenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO5
InChI InChI=1S/C12H15NO5/c1-8(2)5-6-18-11-4-3-9(13(16)17)7-10(11)12(14)15/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKey MEZGEJVELIMPIT-UHFFFAOYSA-N
Molecular Weight 253.254 g/mol
SMILES OC(c1cc(N(=O)=O)ccc1OCCC(C)C)=O
SPLASH splash10-00dl-9200000000-a43cc085be546752b148
Source of Spectrum IY-1-4270-1
Synonyms Benzoic acid, 2-(3-methylbutoxy)-5-nitro- 2-(3-Methylbutoxy)-5-nitrobenzoic acid 2-isopentyloxy-5-nitro-benzoic acid 2-(3-Methylbutoxy)-5-nitro-benzoic acid
Wiley ID 1650695