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4-(Ethoxycarbonyl)-2-ethylcyclohepta-2,4,6-triene-1-one
SpectraBase Compound ID 4pjZdUk2MNw
InChI InChI=1S/C12H14O3/c1-3-9-8-10(12(14)15-4-2)6-5-7-11(9)13/h5-8H,3-4H2,1-2H3
InChIKey GTMWPAQNDNGXDE-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9NukA9ZteVF
Name 4-(Ethoxycarbonyl)-2-ethylcyclohepta-2,4,6-triene-1-one
Alternate Name(s) Ethyl 6-ethyl-5-oxo-1,3,6-cycloheptatriene-1-carboxylate
CAS Registry Number 136175-80-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-3-9-8-10(12(14)15-4-2)6-5-7-11(9)13/h5-8H,3-4H2,1-2H3
InChIKey GTMWPAQNDNGXDE-UHFFFAOYSA-N
Molecular Weight 206.241 g/mol
SMILES C=1(C=C(C(=O)C=CC1)CC)C(=O)OCC
SPLASH splash10-0a59-2940000000-e31fb91df4dddf932bf1
Source of Spectrum J-56-6446-12
Wiley ID 1204459