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1-(Carbethoxymethylene)-1,2,3,6,7,8-hexahydropyrene
SpectraBase Compound ID 7jQ3sePNJEJ
InChI InChI=1S/C20H20O2/c1-2-22-18(21)12-16-9-8-15-7-6-13-4-3-5-14-10-11-17(16)20(15)19(13)14/h6-7,10-12H,2-5,8-9H2,1H3/b16-12+
InChIKey NQAIDQQDSNQBJT-FOWTUZBSSA-N
Mol Weight 292.38 g/mol
Molecular Formula C20H20O2
Exact Mass 292.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8uNwxQyJzI1
Name 1-(Carbethoxymethylene)-1,2,3,6,7,8-hexahydropyrene
Alternate Name(s) Ethyl (2E)-3,6,7,8-tetrahydro-1(2H)-pyrenylideneethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O2
InChI InChI=1S/C20H20O2/c1-2-22-18(21)12-16-9-8-15-7-6-13-4-3-5-14-10-11-17(16)20(15)19(13)14/h6-7,10-12H,2-5,8-9H2,1H3/b16-12+
InChIKey NQAIDQQDSNQBJT-FOWTUZBSSA-N
Molecular Weight 292.378 g/mol
SMILES c12c3\C(=C\C(=O)OCC)CCc2ccc2c1c(cc3)CCC2
SPLASH splash10-01oy-0090000000-e712f375de9f072bc36e
Source of Spectrum J-56-6719-4
Wiley ID 1295964