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(2R,4R)-2-phenyl-3-(2-propargyloxybenzoyl)thiazolidine-4-carboxylic acid methyl ester

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

(2R,4R)-2-phenyl-3-(2-propargyloxybenzoyl)thiazolidine-4-carboxylic acid methyl ester
SpectraBase Compound ID F2wXi4mSBST
InChI InChI=1S/C21H19NO4S/c1-3-13-26-18-12-8-7-11-16(18)19(23)22-17(21(24)25-2)14-27-20(22)15-9-5-4-6-10-15/h1,4-12,17,20H,13-14H2,2H3/t17-,20+/m0/s1
InChIKey JBYLLTXNQXIPCQ-FXAWDEMLSA-N
Mol Weight 381.45 g/mol
Molecular Formula C21H19NO4S
Exact Mass 381.103479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CDKWfiiCnv7
Name (2R,4R)-2-Phenyl-3-(2-propargyloxybenzoyl)thiazolidine-4-carboxylic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.103479266 u
Formula C21H19NO4S
InChI InChI=1S/C21H19NO4S/c1-3-13-26-18-12-8-7-11-16(18)19(23)22-17(21(24)25-2)14-27-20(22)15-9-5-4-6-10-15/h1,4-12,17,20H,13-14H2,2H3/t17-,20+/m0/s1
InChIKey JBYLLTXNQXIPCQ-FXAWDEMLSA-N
Molecular Weight 381.446 g/mol
SMILES C(N1[C@@](CS[C@@]1(C1=CC=CC=C1)[H])(C(=O)OC)[H])(C=1C(OCC#C)=CC=CC1)=O