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(R*)-Ethyl benzoyloxy-[( 4-methylphenyl)sulfanyl]acetate

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

(R*)-Ethyl benzoyloxy-[( 4-methylphenyl)sulfanyl]acetate
SpectraBase Compound ID 1NoaNR8qmi6
InChI InChI=1S/C18H18O4S/c1-3-21-17(20)18(23-15-11-9-13(2)10-12-15)22-16(19)14-7-5-4-6-8-14/h4-12,18H,3H2,1-2H3/t18-/m1/s1
InChIKey IQRODUZCEYPKJF-GOSISDBHSA-N
Mol Weight 330.4 g/mol
Molecular Formula C18H18O4S
Exact Mass 330.09258 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CJuX4YBBuyF
Name (R*)-Ethyl benzoyloxy-[( 4-methylphenyl)sulfanyl]acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.092580230 u
Formula C18H18O4S
InChI InChI=1S/C18H18O4S/c1-3-21-17(20)18(23-15-11-9-13(2)10-12-15)22-16(19)14-7-5-4-6-8-14/h4-12,18H,3H2,1-2H3/t18-/m1/s1
InChIKey IQRODUZCEYPKJF-GOSISDBHSA-N
Molecular Weight 330.398 g/mol
SMILES [C@@](OC(=O)C=1C=CC=CC1)(C(=O)OCC)(SC1=CC=C(C=C1)C)[H]