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1-Azulenecarboxylic acid, 4-ethyl-1,2,3,5,6,7,8,8a-octahydro-8a-methyl-5,8-dioxo-, ethyl ester
SpectraBase Compound ID BzEllf1QFxh
InChI InChI=1S/C16H22O4/c1-4-10-11-6-7-12(15(19)20-5-2)16(11,3)14(18)9-8-13(10)17/h12H,4-9H2,1-3H3
InChIKey JYJICIZSRIXASF-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2txIpkhJnBC
Name 1-Azulenecarboxylic acid, 4-ethyl-1,2,3,5,6,7,8,8a-octahydro-8a-methyl-5,8-dioxo-, ethyl ester
Alternate Name(s) 10-Carbethoxy-6-ethyl-1-methylbicyclo[5.3.0]dec-6-ene-2,5-dione Ethyl 4-ethyl-8a-methyl-5,8-dioxo-1,2,3,5,6,7,8,8a-octahydro-1-azulenecarboxylate
CAS Registry Number 117106-90-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-4-10-11-6-7-12(15(19)20-5-2)16(11,3)14(18)9-8-13(10)17/h12H,4-9H2,1-3H3
InChIKey JYJICIZSRIXASF-UHFFFAOYSA-N
Molecular Weight 278.348 g/mol
SMILES C=12C(C(C(=O)OCC)CC2)(C(CCC(C1CC)=O)=O)C
SPLASH splash10-0a4i-4910000000-7808dcdad754e41ce80b
Source of Spectrum F-43-5601-6
Wiley ID 1282060