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2-{2'-[5"-(Methoxycarbonyl)-3"-methylpentanoyl]oxy-3'-methyl-5'-iodo-4'-hexenyl}-2-methyldioxolane
SpectraBase Compound ID FS0yopx9nnN
InChI InChI=1S/C19H31IO6/c1-13(6-7-17(21)23-5)10-18(22)26-16(14(2)11-15(3)20)12-19(4)24-8-9-25-19/h11,13-14,16H,6-10,12H2,1-5H3/b15-11+/t13?,14-,16+/m1/s1
InChIKey PYGHECZIIJIHLL-VXJYQOQMSA-N
Mol Weight 482.36 g/mol
Molecular Formula C19H31IO6
Exact Mass 482.116534 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNwFPm7rih4
Name 2-{2'-[5"-(Methoxycarbonyl)-3"-methylpentanoyl]oxy-3'-methyl-5'-iodo-4'-hexenyl}-2-methyldioxolane
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Formula C19H31IO6
InChI InChI=1S/C19H31IO6/c1-13(6-7-17(21)23-5)10-18(22)26-16(14(2)11-15(3)20)12-19(4)24-8-9-25-19/h11,13-14,16H,6-10,12H2,1-5H3/b15-11+/t13?,14-,16+/m1/s1
InChIKey PYGHECZIIJIHLL-VXJYQOQMSA-N
Molecular Weight 482.355 g/mol
SMILES C1(C[C@](OC(=O)CC(CCC(=O)OC)C)([C@@](\C=C/(I)C)(C)[H])[H])(OCCO1)C
SPLASH splash10-000i-9710000000-150974828935e35390c4
Source of Spectrum QE-15-4039-33
Synonyms 3-Methyl-hexanedioic acid 1-[(E)-(1S,2R)-4-iodo-2-methyl-1-(2-methyl-[1,3]dioxolan-2-ylmethyl)-pent-3-enyl]ester 6-methyl ester
Wiley ID 1692804