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Methyl (2RS,4sR)-4-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]-3,4-dihydro-2-[2-(phenylthio)ethoxy]-2H-pyran-5-carboxylate
SpectraBase Compound ID 3yb54SUE4lK
InChI InChI=1S/C22H30O6S/c1-22(2)14-26-19(27-15-22)12-16-11-18(21(23)24-3)28-20(13-16)25-9-10-29-17-7-5-4-6-8-17/h4-8,11,16,19-20H,9-10,12-15H2,1-3H3
InChIKey DAPNPDXMZOSQIH-UHFFFAOYSA-N
Mol Weight 422.54 g/mol
Molecular Formula C22H30O6S
Exact Mass 422.17631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BtXOa5RYx9s
Name Methyl (2RS,4sR)-4-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]-3,4-dihydro-2-[2-(phenylthio)ethoxy]-2H-pyran-5-carboxylate
Alternate Name(s) Methyl 4-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]-2-[2-(phenylsulfanyl)ethoxy]-3,4-dihydro-2H-pyran-6-carboxylate
CAS Registry Number 117960-95-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O6S
InChI InChI=1S/C22H30O6S/c1-22(2)14-26-19(27-15-22)12-16-11-18(21(23)24-3)28-20(13-16)25-9-10-29-17-7-5-4-6-8-17/h4-8,11,16,19-20H,9-10,12-15H2,1-3H3
InChIKey DAPNPDXMZOSQIH-UHFFFAOYSA-N
Molecular Weight 422.536 g/mol
SMILES C=1(OC(OCCSc2ccccc2)CC(C1)CC1OCC(CO1)(C)C)C(=O)OC
SPLASH splash10-000i-0900300000-a0cb06492d11107e0993
Source of Spectrum K-122-649-35
Wiley ID 1378557