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1,3-Dioxolane-4-ethanol, 2,2,5,5-tetramethyl-, 4-methylbenzenesulfonate, (S)-
SpectraBase Compound ID 5DUvIW0u2N3
InChI InChI=1S/C16H24O5S/c1-12-6-8-13(9-7-12)22(17,18)19-11-10-14-15(2,3)21-16(4,5)20-14/h6-9,14H,10-11H2,1-5H3/t14-/m0/s1
InChIKey MXYCNJWPCRBULF-AWEZNQCLSA-N
Mol Weight 328.42 g/mol
Molecular Formula C16H24O5S
Exact Mass 328.134445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0Gas9EbmdB
Name 1,3-Dioxolane-4-ethanol, 2,2,5,5-tetramethyl-, 4-methylbenzenesulfonate, (S)-
Alternate Name(s) 2-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl 4-methylbenzenesulfonate p-Toluolsulfonsaure-[(3S)-3,4-isopropylidendioxy-4-methylpentyl]ester
CAS Registry Number 67985-69-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O5S
InChI InChI=1S/C16H24O5S/c1-12-6-8-13(9-7-12)22(17,18)19-11-10-14-15(2,3)21-16(4,5)20-14/h6-9,14H,10-11H2,1-5H3/t14-/m0/s1
InChIKey MXYCNJWPCRBULF-AWEZNQCLSA-N
Molecular Weight 328.423 g/mol
SMILES c1(S(=O)(=O)OCC[C@@]2(OC(C)(C)OC2(C)C)[H])ccc(cc1)C
SPLASH splash10-000y-9000000000-dc42b7c094a53b9502c6
Source of Spectrum H-69-119-20
Wiley ID 1326045