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3,7,14,21-Tetraoxatricyclo[20.3.1.19,13]heptacosa-1(26),9,11,13(27),22,24-hexaene-16,18-diyne-2,8-dione, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-10,25-bis(2-propynyloxy)-
SpectraBase Compound ID Yeq2hQMsJ9
InChI InChI=1S/C35H36O9Si/c1-8-18-40-31-16-14-26-22-29(31)33(36)42-24-28(44-45(6,7)35(3,4)5)25-43-34(37)30-23-27(15-17-32(30)41-19-9-2)39-21-13-11-10-12-20-38-26/h1-2,14-17,22-23,28H,18-21,24-25H2,3-7H3
InChIKey MPPDCXYLBJSASM-UHFFFAOYSA-N
Mol Weight 628.7 g/mol
Molecular Formula C35H36O9Si
Exact Mass 628.212859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7UNSfh08JaO
Name 3,7,14,21-Tetraoxatricyclo[20.3.1.19,13]heptacosa-1(26),9,11,13(27),22,24-hexaene-16,18-diyne-2,8-dione, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-10,25-bis(2-propynyloxy)-
CAS Registry Number 120296-93-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H36O9Si
InChI InChI=1S/C35H36O9Si/c1-8-18-40-31-16-14-26-22-29(31)33(36)42-24-28(44-45(6,7)35(3,4)5)25-43-34(37)30-23-27(15-17-32(30)41-19-9-2)39-21-13-11-10-12-20-38-26/h1-2,14-17,22-23,28H,18-21,24-25H2,3-7H3
InChIKey MPPDCXYLBJSASM-UHFFFAOYSA-N
Molecular Weight 628.749 g/mol
SMILES c12C(OCC(O[Si](C(C)(C)C)(C)C)COC(c3c(ccc(c3)OCC#CC#CCOc(c1)ccc2OCC#C)OCC#C)=O)=O
SPLASH splash10-0006-9000010000-3660a3c3655887e02eae
Source of Spectrum C-111-3651-10
Synonyms 18-[(tert-butyldimethylsilyl)oxy]-12,23-bis(2-propynyloxy)-1,8,16,20-tetraoxa-15,21-dioxo[8,7]metacyclopha-3,5-diyne 5-{[tert-butyl(dimethyl)silyl]oxy}-10,25-bis(2-propynyloxy)-3,7,14,21-tetraoxatricyclo[20.3.1.1(9,13)]heptacosa-1(26),9(27),10,12,22,24-hexaene-16,18-diyne-2,8-dione
Wiley ID 1411995