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Dimethyl 2-[cis-4-(1,1-bis(methoxycarbonyl)but-3-ynyl)cyclohex-2-enyl]-2-allyl-malonate
SpectraBase Compound ID BAsjdZEoHYo
InChI InChI=1S/C22H28O8/c1-7-13-21(17(23)27-3,18(24)28-4)15-9-11-16(12-10-15)22(14-8-2,19(25)29-5)20(26)30-6/h1,8-9,11,15-16H,2,10,12-14H2,3-6H3/t15-,16+/m0/s1
InChIKey NQUURGBFESYTKR-JKSUJKDBSA-N
Mol Weight 420.46 g/mol
Molecular Formula C22H28O8
Exact Mass 420.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7VYvGpfCacr
Name Dimethyl 2-[cis-4-(1,1-bis(methoxycarbonyl)but-3-ynyl)cyclohex-2-enyl]-2-allyl-malonate
Alternate Name(s) Dimethyl 2-allyl-2-{(1S,4R)-4-[1,1-bis(methoxycarbonyl)-3-butynyl]-2-cyclohexen-1-yl}malonate Dimethyl 2-[cis-4-(1,1-bis(methoxycarbonyl)but-3-ynyl)cyclohex-2-enyl]malonate
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Formula C22H28O8
InChI InChI=1S/C22H28O8/c1-7-13-21(17(23)27-3,18(24)28-4)15-9-11-16(12-10-15)22(14-8-2,19(25)29-5)20(26)30-6/h1,8-9,11,15-16H,2,10,12-14H2,3-6H3/t15-,16+/m0/s1
InChIKey NQUURGBFESYTKR-JKSUJKDBSA-N
Molecular Weight 420.458 g/mol
SMILES C(C(=O)OC)(C(=O)OC)([C@]1(C=C[C@@](C(C(=O)OC)(C(=O)OC)CC=C)(CC1)[H])[H])CC#C
SPLASH splash10-004j-0980000000-08b2a334fa78a1c0cf77
Source of Spectrum QE-12-1803-22
Wiley ID 1586776