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(R)-1-((tert-Butyldiphenylsilyl)oxy)tridecan-2-yl (E)-but-2-enoate
SpectraBase Compound ID JrKYAx5AIv8
InChI InChI=1S/C33H50O3Si/c1-6-8-9-10-11-12-13-14-17-23-29(36-32(34)22-7-2)28-35-37(33(3,4)5,30-24-18-15-19-25-30)31-26-20-16-21-27-31/h7,15-16,18-22,24-27,29H,6,8-14,17,23,28H2,1-5H3/b22-7+/t29-/m1/s1
InChIKey FWYUVRKLNPVAEE-IWBDPAPLSA-N
Mol Weight 522.8 g/mol
Molecular Formula C33H50O3Si
Exact Mass 522.352922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11MFbB0mspr
Name (R)-1-((tert-Butyldiphenylsilyl)oxy)tridecan-2-yl (E)-but-2-enoate
Appearance Colorless oil
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Formula C33H50O3Si
InChI InChI=1S/C33H50O3Si/c1-6-8-9-10-11-12-13-14-17-23-29(36-32(34)22-7-2)28-35-37(33(3,4)5,30-24-18-15-19-25-30)31-26-20-16-21-27-31/h7,15-16,18-22,24-27,29H,6,8-14,17,23,28H2,1-5H3/b22-7+/t29-/m1/s1
InChIKey FWYUVRKLNPVAEE-IWBDPAPLSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201501491
Molecular Weight 522.845 g/mol
Optical Rotation [a]D20 = +12.4 (c = 0.89, CH2Cl2)
Quality 54
Reported Formula C33H50O3Si1
SMILES C(O[Si](C(C)(C)C)(C1=CC=CC=C1)C1=CC=CC=C1)[C@@](CCCCCCCCCCC)(OC(\C=C\C)=O)[H]
SPLASH splash10-014i-1190000000-63b73fec713bd311e6ea
Source of Spectrum QE-21-SM86-S2 (DOI: 10.1002/chem.201501491)
Wiley ID 1906769