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(S)-[2-methyl-1 -[(4R)-4-methyltetrahydropyran-2-yl]propyl]-ethanethioate
SpectraBase Compound ID 9JXwOtooKr8
InChI InChI=1S/C12H22O2S/c1-8(2)12(15-10(4)13)11-7-9(3)5-6-14-11/h8-9,11-12H,5-7H2,1-4H3/t9-,11?,12?/m1/s1
InChIKey IDBBIDBIUMHRHQ-OIKLOGQESA-N
Mol Weight 230.37 g/mol
Molecular Formula C12H22O2S
Exact Mass 230.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iQegSUO08y
Name (S)-[2-methyl-1 -[(4R)-4-methyltetrahydropyran-2-yl]propyl]-ethanethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2S
InChI InChI=1S/C12H22O2S/c1-8(2)12(15-10(4)13)11-7-9(3)5-6-14-11/h8-9,11-12H,5-7H2,1-4H3/t9-,11?,12?/m1/s1
InChIKey IDBBIDBIUMHRHQ-OIKLOGQESA-N
Ionization Type EI
Molecular Weight 230.366 g/mol
SMILES C1[C@](CC(OC1)C(SC(C)=O)C(C)C)(C)[H]
SPLASH splash10-0002-9000000000-fabfae37e97e246aba58
Sample Comments Mixture of diastereomers
Source of Spectrum WO2019037862A1
Wiley ID 1872869