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(2R,3S)-2,6-Dimethylphenyl 3-hydroxy-2,4-dimethyl-4-(phenylsulfanyl)pentanoate

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(2R,3S)-2,6-Dimethylphenyl 3-hydroxy-2,4-dimethyl-4-(phenylsulfanyl)pentanoate
SpectraBase Compound ID 8fQJyVD1nSu
InChI InChI=1S/C21H26O3S/c1-14-10-9-11-15(2)18(14)24-20(23)16(3)19(22)21(4,5)25-17-12-7-6-8-13-17/h6-13,16,19,22H,1-5H3/t16-,19+/m1/s1
InChIKey VTCXGXSIZORHCX-APWZRJJASA-N
Mol Weight 358.5 g/mol
Molecular Formula C21H26O3S
Exact Mass 358.160266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JWs0RFCUqy9
Name (2R,3S)-2,6-Dimethylphenyl 3-hydroxy-2,4-dimethyl-4-(phenylsulfanyl)pentanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.160265868 u
Formula C21H26O3S
InChI InChI=1S/C21H26O3S/c1-14-10-9-11-15(2)18(14)24-20(23)16(3)19(22)21(4,5)25-17-12-7-6-8-13-17/h6-13,16,19,22H,1-5H3/t16-,19+/m1/s1
InChIKey VTCXGXSIZORHCX-APWZRJJASA-N
Molecular Weight 358.496 g/mol
SMILES C([C@@]([C@@](C(SC1=CC=CC=C1)(C)C)(O)[H])(C)[H])(OC1=C(C=CC=C1C)C)=O