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(E)-methyl 3-(4-methoxybenzylidene)-4-oxooctahydropentalene-3a-carboxylate
SpectraBase Compound ID 59B4zrBfECX
InChI InChI=1S/C18H20O4/c1-21-15-8-3-12(4-9-15)11-14-6-5-13-7-10-16(19)18(13,14)17(20)22-2/h3-4,8-9,11,13H,5-7,10H2,1-2H3/b14-11+
InChIKey WECGLJVSJKGLSL-SDNWHVSQSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OUYWvrPXs
Name (E)-methyl 3-(4-methoxybenzylidene)-4-oxooctahydropentalene-3a-carboxylate
Alternate Name(s) Methyl (E)-3-(4-methoxybenzylidene)-4-oxohexahydropentalene-3a(1H)-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O4
InChI InChI=1S/C18H20O4/c1-21-15-8-3-12(4-9-15)11-14-6-5-13-7-10-16(19)18(13,14)17(20)22-2/h3-4,8-9,11,13H,5-7,10H2,1-2H3/b14-11+
InChIKey WECGLJVSJKGLSL-SDNWHVSQSA-N
Literature Reference DOI 10.1002/adsc.201600175
Molecular Weight 300.354 g/mol
SMILES C12(\C(CCC2CCC1=O)=C\c1ccc(cc1)OC)C(=O)OC
SPLASH splash10-0gvo-1593000000-561663c2e93665ff70ae
Source of Spectrum ASC-358-1820/SM16-39b
Wiley ID 1807419