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1,7-Bis[2,3-di(isopropyloxy)-4-hydroxy-1-oxo-2-cyclobuten-4-yl]hepta-1,6-diyne
SpectraBase Compound ID B2BqOfWqXW2
InChI InChI=1S/C27H36O8/c1-16(2)32-20-22(28)26(30,24(20)34-18(5)6)14-12-10-9-11-13-15-27(31)23(29)21(33-17(3)4)25(27)35-19(7)8/h16-19,30-31H,9-11H2,1-8H3
InChIKey IDRWFWQFNGOAIK-UHFFFAOYSA-N
Mol Weight 488.6 g/mol
Molecular Formula C27H36O8
Exact Mass 488.241018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1USgQeRE9q4
Name 1,7-Bis[2,3-di(isopropyloxy)-4-hydroxy-1-oxo-2-cyclobuten-4-yl]hepta-1,6-diyne
Alternate Name(s) 1,7-Bis[2,3-di(isopropyloxy)-4-hydroxy-1-oxo-2-cyclobuten-3-yl]hepta-1,6-diyne 4-Hydroxy-4-[7-(1-hydroxy-2,3-diisopropoxy-4-oxo-2-cyclobuten-1-yl)-1,6-heptadiynyl]-2,3-diisopropoxy-2-cyclobuten-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O8
InChI InChI=1S/C27H36O8/c1-16(2)32-20-22(28)26(30,24(20)34-18(5)6)14-12-10-9-11-13-15-27(31)23(29)21(33-17(3)4)25(27)35-19(7)8/h16-19,30-31H,9-11H2,1-8H3
InChIKey IDRWFWQFNGOAIK-UHFFFAOYSA-N
Molecular Weight 488.577 g/mol
SMILES OC1(C#CCCCC#CC2(C(=C(OC(C)C)C2=O)OC(C)C)O)C(OC(C)C)=C(C1=O)OC(C)C
SPLASH splash10-00di-0029000000-6e21c849da827e5bb055
Source of Spectrum KC-57-5103-1
Wiley ID 1624562