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.beta.-Santalol, palmitate

View entire compound with spectra: 1 NMR, and 1 FTIR

.beta.-Santalol, palmitate
SpectraBase Compound ID ERlclRrySJj
InChI InChI=1S/C31H54O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30(32)33-25-26(2)19-18-23-31(4)27(3)28-21-22-29(31)24-28/h19,28-29H,3,5-18,20-25H2,1-2,4H3/b26-19-
InChIKey IOPSWMGQFCDUGF-XHPQRKPJSA-N
Mol Weight 458.8 g/mol
Molecular Formula C31H54O2
Exact Mass 458.412381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FgJgbz1AKNs
Name .beta.-Santalol, palmitate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.412380977 u
Formula C31H54O2
InChI InChI=1S/C31H54O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30(32)33-25-26(2)19-18-23-31(4)27(3)28-21-22-29(31)24-28/h19,28-29H,3,5-18,20-25H2,1-2,4H3/b26-19-
InChIKey IOPSWMGQFCDUGF-XHPQRKPJSA-N
Molecular Weight 458.771 g/mol
SMILES C12C(C(=C)C(C2)CC1)(C)CC\C=C\(C)COC(=O)CCCCCCCCCCCCCCC