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tert-Butyl ketal of (1'S,2S,5S)-2-hydroxysuccinic acid 4-(4'-methyl-1'-vinylpent-4'-enyl) ester
SpectraBase Compound ID 91uTGDPP2EY
InChI InChI=1S/C17H26O5/c1-7-12(9-8-11(2)3)20-14(18)10-13-15(19)22-16(21-13)17(4,5)6/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,16+/m1/s1
InChIKey DLSSBVAOMBGMSN-WWGRRREGSA-N
Mol Weight 310.39 g/mol
Molecular Formula C17H26O5
Exact Mass 310.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JaN7sPuo7hk
Name tert-Butyl ketal of (1'S,2S,5S)-2-hydroxysuccinic acid 4-(4'-methyl-1'-vinylpent-4'-enyl) ester
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Formula C17H26O5
InChI InChI=1S/C17H26O5/c1-7-12(9-8-11(2)3)20-14(18)10-13-15(19)22-16(21-13)17(4,5)6/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,16+/m1/s1
InChIKey DLSSBVAOMBGMSN-WWGRRREGSA-N
Molecular Weight 310.390 g/mol
SMILES [C@@]1(OC([C@@](O1)(CC(=O)O[C@](C=C)(CCC(=C)C)[H])[H])=O)(C(C)(C)C)[H]
SPLASH splash10-0aou-9200000000-7ed0ee60b5446a0884cb
Source of Spectrum J-60-7262-26
Synonyms 2-[(2S,4S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]acetic acid [(3S)-6-methylhepta-1,6-dien-3-yl] ester [(3S)-6-methylhepta-1,6-dien-3-yl] 2-[(2S,4S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]acetate [(1S)-4-methyl-1-vinyl-pent-4-enyl] 2-[(2S,4S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]acetate [(3S)-6-methylhepta-1,6-dien-3-yl] 2-[(2S,4S)-2-tert-butyl-5-oxidanylidene-1,3-dioxolan-4-yl]ethanoate
Wiley ID 1311527