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Oxiranemethanol, 3-[3-(2,5,5-trimethyl-1,3-dioxan-2-yl)propyl]-, 4-methylbenzenesulfonate, trans-(+)-
SpectraBase Compound ID CDiwiOGWhqO
InChI InChI=1S/C20H30O6S/c1-15-7-9-16(10-8-15)27(21,22)25-12-18-17(26-18)6-5-11-20(4)23-13-19(2,3)14-24-20/h7-10,17-18H,5-6,11-14H2,1-4H3/t17-,18-/m1/s1
InChIKey JWQKZLVGDWOUHP-QZTJIDSGSA-N
Mol Weight 398.51 g/mol
Molecular Formula C20H30O6S
Exact Mass 398.17631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pjlFYUXgyf
Name Oxiranemethanol, 3-[3-(2,5,5-trimethyl-1,3-dioxan-2-yl)propyl]-, 4-methylbenzenesulfonate, trans-(+)-
CAS Registry Number 106863-61-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O6S
InChI InChI=1S/C20H30O6S/c1-15-7-9-16(10-8-15)27(21,22)25-12-18-17(26-18)6-5-11-20(4)23-13-19(2,3)14-24-20/h7-10,17-18H,5-6,11-14H2,1-4H3/t17-,18-/m1/s1
InChIKey JWQKZLVGDWOUHP-QZTJIDSGSA-N
Molecular Weight 398.514 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)[C@]1(O[C@@]1(CCCC1(OCC(CO1)(C)C)C)[H])[H]
SPLASH splash10-0a4l-9000000000-49140a5135409336dbea
Source of Spectrum J-52-942-7
Synonyms 2,5,5-Trimethyl-2-[6-(tosyloxy)-4,5-epoxyhexanyl]-1,3-oxane {(2R,3R)-3-[3-(2,5,5-trimethyl-1,3-dioxan-2-yl)propyl]oxiranyl}methyl 4-methylbenzenesulfonate
Wiley ID 1368305