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Bicyclo[4.4.1]undeca-2,4,6,8,10-pentaene-3-carboxylic acid, 5-chloro-, ethyl ester
SpectraBase Compound ID K84sQZz7xRw
InChI InChI=1S/C14H13ClO2/c1-2-17-14(16)12-8-10-5-3-4-6-11(7-10)13(15)9-12/h3-6,8-9H,2,7H2,1H3
InChIKey ARMVYWPZYIAMHO-UHFFFAOYSA-N
Mol Weight 248.71 g/mol
Molecular Formula C14H13ClO2
Exact Mass 248.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3oaT72XiZo
Name Bicyclo[4.4.1]undeca-2,4,6,8,10-pentaene-3-carboxylic acid, 5-chloro-, ethyl ester
CAS Registry Number 126703-85-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13ClO2
InChI InChI=1S/C14H13ClO2/c1-2-17-14(16)12-8-10-5-3-4-6-11(7-10)13(15)9-12/h3-6,8-9H,2,7H2,1H3
InChIKey ARMVYWPZYIAMHO-UHFFFAOYSA-N
Molecular Weight 248.709 g/mol
SMILES C=1(C=C(C2=CC=CC=C(C1)C2)Cl)C(=O)OCC
SPLASH splash10-004i-0950000000-1ad5c6bb10858bd986c0
Source of Spectrum H-72-1318-9
Synonyms (bicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-3-yl)-phenyl-ketone Ethyl 5-chlorobicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-3-carboxylate Ethyl 5-chlorobicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-3-carboxylate
Wiley ID 1250991