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Ethyl 4-Acetyl-5,6-dihydro-2-ethoxycyclopenta[ef]heptalene-1-carboxylate
SpectraBase Compound ID 4C1MqYxtCZ3
InChI InChI=1S/C21H22O4/c1-4-24-20-17-12-15(13(3)22)11-10-14-8-6-7-9-16(18(14)17)19(20)21(23)25-5-2/h6-9,12H,4-5,10-11H2,1-3H3
InChIKey QXWQKESVQBMFNP-UHFFFAOYSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GB1g45LB53P
Name Ethyl 4-Acetyl-5,6-dihydro-2-ethoxycyclopenta[ef]heptalene-1-carboxylate
Alternate Name(s) Ethyl 4-acetyl-2-ethoxy-5,6-dihydrocyclopenta[ef]heptalene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-4-24-20-17-12-15(13(3)22)11-10-14-8-6-7-9-16(18(14)17)19(20)21(23)25-5-2/h6-9,12H,4-5,10-11H2,1-3H3
InChIKey QXWQKESVQBMFNP-UHFFFAOYSA-N
Molecular Weight 338.403 g/mol
SMILES c1ccc2CCC(=Cc3c2c(c1)c(c3OCC)C(OCC)=O)C(=O)C
SPLASH splash10-000i-0049000000-0a4297bbd5d7d1244ca7
Source of Spectrum H-97-517-16c
Wiley ID 1784926