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(3S,4R)-2-Allyl-6-hydroxybenzoic acid 3-(tert-butyldimethylsilyloxy)-4,7-dimethyloct-6-enyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(3S,4R)-2-Allyl-6-hydroxybenzoic acid 3-(tert-butyldimethylsilyloxy)-4,7-dimethyloct-6-enyl ester
SpectraBase Compound ID EEKpj7pEi9B
InChI InChI=1S/C26H42O4Si/c1-10-12-21-13-11-14-22(27)24(21)25(28)29-18-17-23(20(4)16-15-19(2)3)30-31(8,9)26(5,6)7/h10-11,13-15,20,23,27H,1,12,16-18H2,2-9H3/t20-,23+/m1/s1
InChIKey JVWXHENZPFSEMG-OFNKIYASSA-N
Mol Weight 446.7 g/mol
Molecular Formula C26H42O4Si
Exact Mass 446.285236 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID vdt9sE7p5i
Name (3S,4R)-2-Allyl-6-hydroxybenzoic acid 3-(tert-butyldimethylsilyloxy)-4,7-dimethyloct-6-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.285236363 u
Formula C26H42O4Si
InChI InChI=1S/C26H42O4Si/c1-10-12-21-13-11-14-22(27)24(21)25(28)29-18-17-23(20(4)16-15-19(2)3)30-31(8,9)26(5,6)7/h10-11,13-15,20,23,27H,1,12,16-18H2,2-9H3/t20-,23+/m1/s1
InChIKey JVWXHENZPFSEMG-OFNKIYASSA-N
Molecular Weight 446.703 g/mol
SMILES C1(C(=O)OCC[C@](O[Si](C(C)(C)C)(C)C)([C@@](CC=C(C)C)(C)[H])[H])=C(O)C=CC=C1CC=C