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(2S,4R)-4-(benzyloxy)pentan-2-yl 4-methylbenzenesulfonate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2S,4R)-4-(benzyloxy)pentan-2-yl 4-methylbenzenesulfonate
SpectraBase Compound ID 5gwwShu1DHP
InChI InChI=1S/C19H24O4S/c1-15-9-11-19(12-10-15)24(20,21)23-17(3)13-16(2)22-14-18-7-5-4-6-8-18/h4-12,16-17H,13-14H2,1-3H3/t16-,17+/m1/s1
InChIKey NWMUNTQNYVYSLX-SJORKVTESA-N
Mol Weight 348.46 g/mol
Molecular Formula C19H24O4S
Exact Mass 348.13953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1mqJx516tik
Name (2S,4R)-4-(Benzyloxy)pentan-2-yl 4-methylbenzenesulfonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.139530423 u
Formula C19H24O4S
InChI InChI=1S/C19H24O4S/c1-15-9-11-19(12-10-15)24(20,21)23-17(3)13-16(2)22-14-18-7-5-4-6-8-18/h4-12,16-17H,13-14H2,1-3H3/t16-,17+/m1/s1
InChIKey NWMUNTQNYVYSLX-SJORKVTESA-N
Molecular Weight 348.457 g/mol
SMILES [C@@](C[C@](OCC=1C=CC=CC1)(C)[H])(OS(C1=CC=C(C=C1)C)(=O)=O)(C)[H]