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Dimethyl (2,4-cyclohexadienyl)((E)-4-acetoxy-2-butenyl)malonate
SpectraBase Compound ID I9l1qYmSVAR
InChI InChI=1S/C17H22O6/c1-13(18)23-12-8-7-11-17(15(19)21-2,16(20)22-3)14-9-5-4-6-10-14/h4-9,14H,10-12H2,1-3H3/b8-7+
InChIKey GDCGNKLCJXIUFM-BQYQJAHWSA-N
Mol Weight 322.36 g/mol
Molecular Formula C17H22O6
Exact Mass 322.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYNsgkUtcpC
Name Dimethyl (2,4-cyclohexadienyl)((E)-4-acetoxy-2-butenyl)malonate
Alternate Name(s) Dimethyl 2-[(2E)-4-(acetyloxy)-2-butenyl]-2-(2,4-cyclohexadien-1-yl)malonate
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Formula C17H22O6
InChI InChI=1S/C17H22O6/c1-13(18)23-12-8-7-11-17(15(19)21-2,16(20)22-3)14-9-5-4-6-10-14/h4-9,14H,10-12H2,1-3H3/b8-7+
InChIKey GDCGNKLCJXIUFM-BQYQJAHWSA-N
Molecular Weight 322.357 g/mol
SMILES C(C(=O)OC)(C(=O)OC)(C1C=CC=CC1)C\C=C\COC(=O)C
SPLASH splash10-001i-3931000000-0cabcef39ac78d7846ae
Source of Spectrum QE-3-486-2
Wiley ID 842965