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2-Phenylthiomethyl-3(S)-methoxycarbonyl-4(R)-pentyl-.gamma-butyrolactone

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

2-Phenylthiomethyl-3(S)-methoxycarbonyl-4(R)-pentyl-.gamma-butyrolactone
SpectraBase Compound ID 9GusyBOrw56
InChI InChI=1S/C18H24O4S/c1-3-4-6-11-15-16(18(20)21-2)14(17(19)22-15)12-23-13-9-7-5-8-10-13/h5,7-10,14-16H,3-4,6,11-12H2,1-2H3/t14?,15-,16+/m1/s1
InChIKey FLUDNLGKISBJEO-JAIYHHTPSA-N
Mol Weight 336.45 g/mol
Molecular Formula C18H24O4S
Exact Mass 336.13953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8b3PmTc29De
Name 2-Phenylthiomethyl-3(S)-methoxycarbonyl-4(R)-pentyl-.gamma-butyrolactone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.139530423 u
Formula C18H24O4S
InChI InChI=1S/C18H24O4S/c1-3-4-6-11-15-16(18(20)21-2)14(17(19)22-15)12-23-13-9-7-5-8-10-13/h5,7-10,14-16H,3-4,6,11-12H2,1-2H3/t14?,15-,16+/m1/s1
InChIKey FLUDNLGKISBJEO-JAIYHHTPSA-N
Molecular Weight 336.446 g/mol
SMILES C1([C@@]([C@@](CCCCC)(OC1=O)[H])(C(=O)OC)[H])CSC=1C=CC=CC1