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5-Oxazolidinone, 3-benzoyl-2-(1,1-dimethylethyl)-4-[2-(methylthio)ethyl]-, (2S-cis)-
SpectraBase Compound ID 21E8TbZQDlq
InChI InChI=1S/C17H23NO3S/c1-17(2,3)16-18(13(10-11-22-4)15(20)21-16)14(19)12-8-6-5-7-9-12/h5-9,13,16H,10-11H2,1-4H3
InChIKey PJIJCZBUMJUNPQ-UHFFFAOYSA-N
Mol Weight 321.44 g/mol
Molecular Formula C17H23NO3S
Exact Mass 321.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QD2IdKKv3z
Name 5-Oxazolidinone, 3-benzoyl-2-(1,1-dimethylethyl)-4-[2-(methylthio)ethyl]-, (2S-cis)-
CAS Registry Number 104057-70-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO3S
InChI InChI=1S/C17H23NO3S/c1-17(2,3)16-18(13(10-11-22-4)15(20)21-16)14(19)12-8-6-5-7-9-12/h5-9,13,16H,10-11H2,1-4H3
InChIKey PJIJCZBUMJUNPQ-UHFFFAOYSA-N
Molecular Weight 321.435 g/mol
SMILES CC(C1OC(C(N1C(=O)c1ccccc1)CCSC)=O)(C)C
SPLASH splash10-0a4i-4910000000-bc959df4547a7c8e414f
Synonyms 2-tert-Butyl-4-(2-methylsulfanylethyl)-3-(phenylcarbonyl)-1,3-oxazolidin-5-one 3-Benzoyl-2-tert-butyl-4-[2-(methylsulfanyl)ethyl]-1,3-oxazolidin-5-one 3-Benzoyl-2-tert-butyl-4-(2-methylsulfanylethyl)-1,3-oxazolidin-5-one 3-Benzoyl-2-tert-butyl-4-(2-methylsulfanylethyl)oxazolidin-5-one 3-Benzoyl-2-tert-butyl-4-[2-(methylthio)ethyl]-5-oxazolidinone 3-Benzoyl-2-tert-butyl-4-[2-(methylthio)ethyl]oxazolidin-5-one
Wiley ID 1485946