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Dimethyl trans-2-(4'-acetoxycyclohex-2'-enyl)-2-(prop-2'-enyl)propanedioate
SpectraBase Compound ID 2OCZhShu4K7
InChI InChI=1S/C16H22O6/c1-5-10-16(14(18)20-3,15(19)21-4)12-6-8-13(9-7-12)22-11(2)17/h5-6,8,12-13H,1,7,9-10H2,2-4H3/t12-,13-/m0/s1
InChIKey HUARCXKRJDFARQ-STQMWFEESA-N
Mol Weight 310.35 g/mol
Molecular Formula C16H22O6
Exact Mass 310.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ipsGKZPBRL
Name Dimethyl trans-2-(4'-acetoxycyclohex-2'-enyl)-2-(prop-2'-enyl)propanedioate
Alternate Name(s) Dimethyl 2-[4-(acetyloxy)-2-cyclohexen-1-yl]-2-allylmalonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O6
InChI InChI=1S/C16H22O6/c1-5-10-16(14(18)20-3,15(19)21-4)12-6-8-13(9-7-12)22-11(2)17/h5-6,8,12-13H,1,7,9-10H2,2-4H3/t12-,13-/m0/s1
InChIKey HUARCXKRJDFARQ-STQMWFEESA-N
Molecular Weight 310.346 g/mol
SMILES C(C(=O)OC)(C(=O)OC)([C@]1(C=C[C@](OC(=O)C)(CC1)[H])[H])CC=C
SPLASH splash10-003u-6900000000-1d51d2f1c0bd5b951e47
Source of Spectrum H-76-2335-8
Wiley ID 1311418