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1-Propanol, 2-methyl-3-(phenylmethoxy)-, 4-methylbenzenesulfonate, (S)-
SpectraBase Compound ID 6L1j0L9Kowf
InChI InChI=1S/C18H22O4S/c1-15-8-10-18(11-9-15)23(19,20)22-13-16(2)12-21-14-17-6-4-3-5-7-17/h3-11,16H,12-14H2,1-2H3/t16-/m0/s1
InChIKey QPXQLCZWBSTSBZ-INIZCTEOSA-N
Mol Weight 334.43 g/mol
Molecular Formula C18H22O4S
Exact Mass 334.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVXsgL1XNoT
Name 1-Propanol, 2-methyl-3-(phenylmethoxy)-, 4-methylbenzenesulfonate, (S)-
Alternate Name(s) (2S)-3-(benzyloxy)-2-methylpropyl 4-methylbenzenesulfonate (2S)-3-Benzyloxy-2-methyl-1-p-(toluenesulphonyloxy)propane
CAS Registry Number 86951-92-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O4S
InChI InChI=1S/C18H22O4S/c1-15-8-10-18(11-9-15)23(19,20)22-13-16(2)12-21-14-17-6-4-3-5-7-17/h3-11,16H,12-14H2,1-2H3/t16-/m0/s1
InChIKey QPXQLCZWBSTSBZ-INIZCTEOSA-N
Molecular Weight 334.430 g/mol
SMILES c1(S(OC[C@](COCc2ccccc2)(C)[H])(=O)=O)ccc(cc1)C
SPLASH splash10-052f-9400000000-ada5485688e9171c9af3
Source of Spectrum F-46-4509-13
Wiley ID 1330862