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2-Cyclohexene-1-carboxylic acid, 3-(4-methoxyphenyl)-2,6-dimethyl-4-oxo-, ethyl ester, trans-
SpectraBase Compound ID CBmi6sKJ8dI
InChI InChI=1S/C18H22O4/c1-5-22-18(20)16-11(2)10-15(19)17(12(16)3)13-6-8-14(21-4)9-7-13/h6-9,11,16H,5,10H2,1-4H3/t11-,16+/m0/s1
InChIKey ZNSQCLVVRQHQDM-MEDUHNTESA-N
Mol Weight 302.37 g/mol
Molecular Formula C18H22O4
Exact Mass 302.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSZ1Rwab5x1
Name 2-Cyclohexene-1-carboxylic acid, 3-(4-methoxyphenyl)-2,6-dimethyl-4-oxo-, ethyl ester, trans-
CAS Registry Number 116059-87-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O4
InChI InChI=1S/C18H22O4/c1-5-22-18(20)16-11(2)10-15(19)17(12(16)3)13-6-8-14(21-4)9-7-13/h6-9,11,16H,5,10H2,1-4H3/t11-,16+/m0/s1
InChIKey ZNSQCLVVRQHQDM-MEDUHNTESA-N
Molecular Weight 302.370 g/mol
SMILES C1(=C(C(=O)C[C@@]([C@]1(C(=O)OCC)[H])(C)[H])c1ccc(cc1)OC)C
SPLASH splash10-0udi-0098000000-f5185a880f13c7e94787
Source of Spectrum KC-1987-2694-22
Synonyms Ethyl (1R,6S)-3-(4-methoxyphenyl)-2,6-dimethyl-4-oxo-2-cyclohexene-1-carboxylate Ethyl trans-2,6-dimethyl-3-(p-methoxyphenyl)-4-oxocyclohex-2-enecarboxylate
Wiley ID 1304827