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(R3,rs)-3-Benzyloxy-4-(p-tolylsulfinyl)butanal dimethyl acetal

View entire compound with spectra: 1 NMR, and 1 FTIR

(R3,rs)-3-Benzyloxy-4-(p-tolylsulfinyl)butanal dimethyl acetal
SpectraBase Compound ID IkkA8uWZcOp
InChI InChI=1S/C20H26O4S/c1-16-9-11-19(12-10-16)25(21)15-18(13-20(22-2)23-3)24-14-17-7-5-4-6-8-17/h4-12,18,20H,13-15H2,1-3H3/t18-,25?/m1/s1
InChIKey LDPRSWPYGIMREL-YDONVPIESA-N
Mol Weight 362.48 g/mol
Molecular Formula C20H26O4S
Exact Mass 362.15518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KBXj3ildgTQ
Name (R3,rs)-3-Benzyloxy-4-(p-tolylsulfinyl)butanal dimethyl acetal
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.155180487 u
Formula C20H26O4S
InChI InChI=1S/C20H26O4S/c1-16-9-11-19(12-10-16)25(21)15-18(13-20(22-2)23-3)24-14-17-7-5-4-6-8-17/h4-12,18,20H,13-15H2,1-3H3/t18-,25?/m1/s1
InChIKey LDPRSWPYGIMREL-YDONVPIESA-N
Molecular Weight 362.484 g/mol
SMILES C([S@](C1=CC=C(C=C1)C)=O)[C@@](CC(OC)OC)(OCC=1C=CC=CC1)[H]