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2-Benzofurancarboxylic acid, 2,3-dihydro-2-[(4-nitrophenyl)methyl]-3-oxo-, ethyl ester
SpectraBase Compound ID 6v40SJ8kj
InChI InChI=1S/C18H15NO6/c1-2-24-17(21)18(11-12-7-9-13(10-8-12)19(22)23)16(20)14-5-3-4-6-15(14)25-18/h3-10H,2,11H2,1H3
InChIKey GREDEWAVIUVWOQ-UHFFFAOYSA-N
Mol Weight 341.32 g/mol
Molecular Formula C18H15NO6
Exact Mass 341.089937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rJJ7N9Iue
Name 2-Benzofurancarboxylic acid, 2,3-dihydro-2-[(4-nitrophenyl)methyl]-3-oxo-, ethyl ester
Alternate Name(s) Ethyl 2-(4-nitrobenzyl)-3-oxo-2,3-dihydro-1-benzofuran-2-carboxylate Ethyl 2-p-nitrobenzyl-3-oxo-2,3-dihydrobenzofuran-2-carboxylate
CAS Registry Number 100098-98-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15NO6
InChI InChI=1S/C18H15NO6/c1-2-24-17(21)18(11-12-7-9-13(10-8-12)19(22)23)16(20)14-5-3-4-6-15(14)25-18/h3-10H,2,11H2,1H3
InChIKey GREDEWAVIUVWOQ-UHFFFAOYSA-N
Molecular Weight 341.319 g/mol
SMILES C1(C(c2ccccc2O1)=O)(C(=O)OCC)Cc1ccc(N(=O)=O)cc1
SPLASH splash10-014i-4792000000-ed694fcc91034c57e122
Source of Spectrum B-38-1115-15
Wiley ID 1335849