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1,2:3,4-Bis(isopropylidenedioxy)-5-(hydroxy)oct-7-yne
SpectraBase Compound ID HVXjNKTshdl
InChI InChI=1S/C14H22O5/c1-6-7-9(15)11-12(19-14(4,5)18-11)10-8-16-13(2,3)17-10/h1,9-12,15H,7-8H2,2-5H3/t9-,10-,11-,12-/m1/s1
InChIKey CFRSLFJAFQFSCL-DDHJBXDOSA-N
Mol Weight 270.32 g/mol
Molecular Formula C14H22O5
Exact Mass 270.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DaGsoy8eEwI
Name 1,2:3,4-Bis(isopropylidenedioxy)-5-(hydroxy)oct-7-yne
Alternate Name(s) (1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-butyn-1-ol (R)-1-((4R,5R,4'R)-2,2,2',2'-Tetramethyl-[4,4']bi[[1,3]dioxolanyl]-5-yl)-but-3-yn-1-ol (1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-yn-1-ol 1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-yn-1-ol
Comments Less than 3 mono-isotopic peaks
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Formula C14H22O5
InChI InChI=1S/C14H22O5/c1-6-7-9(15)11-12(19-14(4,5)18-11)10-8-16-13(2,3)17-10/h1,9-12,15H,7-8H2,2-5H3/t9-,10-,11-,12-/m1/s1
InChIKey CFRSLFJAFQFSCL-DDHJBXDOSA-N
Molecular Weight 270.325 g/mol
SMILES O[C@@]([C@@]1([C@@]([C@@]2(OC(C)(C)OC2)[H])(OC(C)(C)O1)[H])[H])(CC#C)[H]
SPLASH splash10-0a4i-0090000000-d5a91481d69589093a3e
Source of Spectrum J-58-3588-11
Wiley ID 1274032