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Ethyl 3-[3'-nitro-2'-phenylbenzopyran-3'-yl]-propionate
SpectraBase Compound ID DUiqvXrDAvm
InChI InChI=1S/C20H21NO5/c1-2-25-18(22)12-13-20(21(23)24)14-16-10-6-7-11-17(16)26-19(20)15-8-4-3-5-9-15/h3-11,19H,2,12-14H2,1H3
InChIKey FCNILMYKLAFRJO-UHFFFAOYSA-N
Mol Weight 355.39 g/mol
Molecular Formula C20H21NO5
Exact Mass 355.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHnvNBTLdfb
Name Ethyl 3-[3'-nitro-2'-phenylbenzopyran-3'-yl]-propionate
Alternate Name(s) Ethyl 3-(3-nitro-2-phenylchroman-3-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO5
InChI InChI=1S/C20H21NO5/c1-2-25-18(22)12-13-20(21(23)24)14-16-10-6-7-11-17(16)26-19(20)15-8-4-3-5-9-15/h3-11,19H,2,12-14H2,1H3
InChIKey FCNILMYKLAFRJO-UHFFFAOYSA-N
Molecular Weight 355.390 g/mol
SMILES C1(N(=O)=O)(C(Oc2c(C1)cccc2)c1ccccc1)CCC(=O)OCC
SPLASH splash10-0a6r-9007000000-e879123453074e2e2b80
Source of Spectrum SK-20-1738-2a
Wiley ID 1733797