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1-Benzoyl-2a,2b,6b,6c-tetrahydrobenzo[a]cyclopropa[cd]pentalene-2-carboxylic acid methyl ester
SpectraBase Compound ID D0nHzKuuo5o
InChI InChI=1S/C21H16O3/c1-24-21(23)19-17-14-12-9-5-6-10-13(12)15(16(14)17)18(19)20(22)11-7-3-2-4-8-11/h2-10,14-17H,1H3
InChIKey RXJQGSQYYFDZBG-UHFFFAOYSA-N
Mol Weight 316.36 g/mol
Molecular Formula C21H16O3
Exact Mass 316.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JL74ByFkzhY
Name 1-Benzoyl-2a,2b,6b,6c-tetrahydrobenzo[a]cyclopropa[cd]pentalene-2-carboxylic acid methyl ester
Alternate Name(s) Methyl 1-benzoyl-2a,2b,6b,6c-tetrahydrobenzo[a]cyclopropa[cd]pentalene-2-carboxylate
CAS Registry Number 135107-68-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16O3
InChI InChI=1S/C21H16O3/c1-24-21(23)19-17-14-12-9-5-6-10-13(12)15(16(14)17)18(19)20(22)11-7-3-2-4-8-11/h2-10,14-17H,1H3
InChIKey RXJQGSQYYFDZBG-UHFFFAOYSA-N
Molecular Weight 316.356 g/mol
SMILES C12C3C(C(=C2C(=O)OC)C(=O)c2ccccc2)c2c(C13)cccc2
SPLASH splash10-0a6r-4930000000-72791f0f70802c389bb0
Source of Spectrum J-57-1493-6
Wiley ID 1317156