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(1S,2S,4R)-p-Menth-8-ene-1,2-diol, 2-benzoate, tms

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(1S,2S,4R)-p-Menth-8-ene-1,2-diol, 2-benzoate, tms
SpectraBase Compound ID 8CfztqKf3dz
InChI InChI=1S/C20H30O3Si/c1-15(2)17-12-13-20(3,23-24(4,5)6)18(14-17)22-19(21)16-10-8-7-9-11-16/h7-11,17-18H,1,12-14H2,2-6H3/t17-,18+,20+/m1/s1
InChIKey AJHQOXVNKBBTRY-HBFSDRIKSA-N
Mol Weight 346.54 g/mol
Molecular Formula C20H30O3Si
Exact Mass 346.196421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J1nuLRTNlN7
Name (1S,2S,4R)-p-Menth-8-ene-1,2-diol, 2-benzoate, tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.196421358 u
Formula C20H30O3Si
InChI InChI=1S/C20H30O3Si/c1-15(2)17-12-13-20(3,23-24(4,5)6)18(14-17)22-19(21)16-10-8-7-9-11-16/h7-11,17-18H,1,12-14H2,2-6H3/t17-,18+,20+/m1/s1
InChIKey AJHQOXVNKBBTRY-HBFSDRIKSA-N
Molecular Weight 346.542 g/mol
SMILES C1[C@@](CC[C@]([C@]1(OC(C1=CC=CC=C1)=O)[H])(C)O[Si](C)(C)C)(C(=C)C)[H]