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2-Benzofuranacetic acid, 2,3-dihydro-3,3-dimethyl-5-nitro-, ethyl ester
SpectraBase Compound ID CoWzLCzdnvX
InChI InChI=1S/C14H17NO5/c1-4-19-13(16)8-12-14(2,3)10-7-9(15(17)18)5-6-11(10)20-12/h5-7,12H,4,8H2,1-3H3
InChIKey BSXOJBKWGGYZFB-UHFFFAOYSA-N
Mol Weight 279.29 g/mol
Molecular Formula C14H17NO5
Exact Mass 279.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGO0zFOt1vn
Name 2-Benzofuranacetic acid, 2,3-dihydro-3,3-dimethyl-5-nitro-, ethyl ester
CAS Registry Number 115941-95-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO5
InChI InChI=1S/C14H17NO5/c1-4-19-13(16)8-12-14(2,3)10-7-9(15(17)18)5-6-11(10)20-12/h5-7,12H,4,8H2,1-3H3
InChIKey BSXOJBKWGGYZFB-UHFFFAOYSA-N
Molecular Weight 279.292 g/mol
SMILES c1(N(=O)=O)cc2C(C(CC(=O)OCC)Oc2cc1)(C)C
SPLASH splash10-0006-0940000000-40d0fc0c43cfbc46c1ad
Source of Spectrum C-110-6506-12
Synonyms Ethyl (3,3-dimethyl-5-nitro-2,3-dihydro-1-benzofuran-2-yl)acetate Ethyl 2,3-dihydro-3,3-dimethyl-5-nitro-2-benzofuranacetate
Wiley ID 1282866