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Bonactin, 2tms

View entire compound with spectra: 1 NMR

Bonactin, 2tms
SpectraBase Compound ID 8IhJOneBU8t
InChI InChI=1S/C27H52O7Si2/c1-11-21(33-35(5,6)7)17-23-13-15-24(32-23)19(3)26(28)30-18(2)16-22-12-14-25(31-22)20(4)27(29)34-36(8,9)10/h18-25H,11-17H2,1-10H3
InChIKey NXCGANOPLMRZBK-UHFFFAOYSA-N
Mol Weight 544.9 g/mol
Molecular Formula C27H52O7Si2
Exact Mass 544.325157 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5VFT1l3ws3n
Name Bonactin, 2tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 544.325157077 u
Formula C27H52O7Si2
InChI InChI=1S/C27H52O7Si2/c1-11-21(33-35(5,6)7)17-23-13-15-24(32-23)19(3)26(28)30-18(2)16-22-12-14-25(31-22)20(4)27(29)34-36(8,9)10/h18-25H,11-17H2,1-10H3
InChIKey NXCGANOPLMRZBK-UHFFFAOYSA-N
Molecular Weight 544.876 g/mol
SMILES C(CC1OC(C(C)C(OC(C)CC2OC(C(C(O[Si](C)(C)C)=O)C)CC2)=O)CC1)(CC)O[Si](C)(C)C