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Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-2-acetic acid, 10-[(diethylamino)carbonyl]-.alpha.-oxo-, ethyl ester, (.+-.)-
SpectraBase Compound ID KJjCtpYtB5b
InChI InChI=1S/C20H23NO4/c1-4-21(5-2)19(23)16-12-8-10-14-9-7-11-15(17(16)13-14)18(22)20(24)25-6-3/h7-12H,4-6,13H2,1-3H3
InChIKey UELSUBNZFNERPA-UHFFFAOYSA-N
Mol Weight 341.41 g/mol
Molecular Formula C20H23NO4
Exact Mass 341.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Fp6Eq1NDjm
Name Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-2-acetic acid, 10-[(diethylamino)carbonyl]-.alpha.-oxo-, ethyl ester, (.+-.)-
CAS Registry Number 106817-65-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO4
InChI InChI=1S/C20H23NO4/c1-4-21(5-2)19(23)16-12-8-10-14-9-7-11-15(17(16)13-14)18(22)20(24)25-6-3/h7-12H,4-6,13H2,1-3H3
InChIKey UELSUBNZFNERPA-UHFFFAOYSA-N
Molecular Weight 341.407 g/mol
SMILES C=12C(C(N(CC)CC)=O)=CC=CC(C2)=CC=CC1C(C(=O)OCC)=O
SPLASH splash10-014l-0930000000-e7389f06086a1b323b76
Source of Spectrum H-69-1267-3
Synonyms Ethyl {10-[(diethylamino)carbonyl]bicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-2-yl}(oxo)acetate Oxalsaure-(ethyl)[10-(N,N-diethylcarsamoylbicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-yl]ester
Wiley ID 1336001