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(R)-1-((Triethylsilyl)oxy)hex-4-yn-2-yl(5S,7E)-7-((tert-butyldimethylsilyl)oxy)-5-methyldodec-2-en-10-ynoate
SpectraBase Compound ID DrScybK2awG
InChI InChI=1S/C31H56O4Si2/c1-12-17-19-23-28(35-36(10,11)31(7,8)9)25-27(6)21-20-24-30(32)34-29(22-18-13-2)26-33-37(14-3,15-4)16-5/h20,24,27-29H,14-16,19,21-23,25-26H2,1-11H3/b24-20+/t27-,28+,29+/m0/s1
InChIKey YJRAJHGICVHNNI-QIBDEZPASA-N
Mol Weight 549.0 g/mol
Molecular Formula C31H56O4Si2
Exact Mass 548.371713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KpqrszSICS9
Name (R)-1-((Triethylsilyl)oxy)hex-4-yn-2-yl(5S,7E)-7-((tert-butyldimethylsilyl)oxy)-5-methyldodec-2-en-10-ynoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H56O4Si2
InChI InChI=1S/C31H56O4Si2/c1-12-17-19-23-28(35-36(10,11)31(7,8)9)25-27(6)21-20-24-30(32)34-29(22-18-13-2)26-33-37(14-3,15-4)16-5/h20,24,27-29H,14-16,19,21-23,25-26H2,1-11H3/b24-20+/t27-,28+,29+/m0/s1
InChIKey YJRAJHGICVHNNI-QIBDEZPASA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201804987
Molecular Weight 548.955 g/mol
Optical Rotation [a]D20 = +7.2 (c = 1.0, CHCl3)
Reported Formula C31H56O4Si2
SMILES C(C)#CCC[C@@](O[Si](C(C)(C)C)(C)C)(C[C@](C\C=C\C(O[C@](CC#CC)(CO[Si](CC)(CC)CC)[H])=O)(C)[H])[H]
SPLASH splash10-0900-4931100000-81f9a8fff0febc19be08
Source of Spectrum QE-25-SM6-E-13
Wiley ID 1845986