(2R)-2-(benzylamino)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioic acid S-(p-tolyl) ester

SpectraBase Compound ID	EypqEop3Kdx
InChI	InChI=1S/C21H25NO3S/c1-15-9-11-17(12-10-15)26-20(23)19(18-14-24-21(2,3)25-18)22-13-16-7-5-4-6-8-16/h4-12,18-19,22H,13-14H2,1-3H3/t18-,19-/m1/s1
InChIKey	RDJFZLOZHWAHHO-RTBURBONSA-N Google Search
Mol Weight	371.5 g/mol
Molecular Formula	C21H25NO3S
Exact Mass	371.155515 g/mol

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SpectraBase Spectrum ID	A1dIf7mSv8
Name	(2R)-2-(Benzylamino)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioic acid S-(p-tolyl) ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	371.155514840 u
Formula	C21H25NO3S
InChI	InChI=1S/C21H25NO3S/c1-15-9-11-17(12-10-15)26-20(23)19(18-14-24-21(2,3)25-18)22-13-16-7-5-4-6-8-16/h4-12,18-19,22H,13-14H2,1-3H3/t18-,19-/m1/s1
InChIKey	RDJFZLOZHWAHHO-RTBURBONSA-N
Molecular Weight	371.495 g/mol
SMILES	[C@@](C(SC1=CC=C(C=C1)C)=O)([C@@]1(OC(C)(C)OC1)[H])(NCC=1C=CC=CC1)[H]