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2-tert-Butyl-3-(phenylcarbonyl)-4-(phenylmethyl)-1,3-oxazolidin-5-one
SpectraBase Compound ID JbmEEGvanla
InChI InChI=1S/C21H23NO3/c1-21(2,3)20-22(18(23)16-12-8-5-9-13-16)17(19(24)25-20)14-15-10-6-4-7-11-15/h4-13,17,20H,14H2,1-3H3
InChIKey LYYZYAFMHPNXGK-UHFFFAOYSA-N
Mol Weight 337.42 g/mol
Molecular Formula C21H23NO3
Exact Mass 337.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVToWFHGTuh
Name 2-tert-Butyl-3-(phenylcarbonyl)-4-(phenylmethyl)-1,3-oxazolidin-5-one
CAS Registry Number 996-61-2
Comments Note: The molecular formula of the structure shown is C21H23NO3 - which differs from the formula reported for the mass spectrum (C21H22DNO3)
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Formula C21H22DNO3
InChI InChI=1S/C21H23NO3/c1-21(2,3)20-22(18(23)16-12-8-5-9-13-16)17(19(24)25-20)14-15-10-6-4-7-11-15/h4-13,17,20H,14H2,1-3H3
InChIKey LYYZYAFMHPNXGK-UHFFFAOYSA-N
Molecular Weight 337.419 g/mol
SMILES C1(C(N(C(=O)c2ccccc2)C(C(C)(C)C)O1)Cc1ccccc1)=O
SPLASH splash10-0a4i-5910000000-7827bd1757d1f20617cb
Synonyms 5-Oxazolidinone, 3-benzoyl-2-(1,1-dimethylethyl)-4-(phenylmethyl)-, (2s-cis)- 3-Benzoyl-4-benzyl-2-tert-butyl-1,3-oxazolidin-5-one 3-Benzoyl-2-tert-butyl-4-(phenylmethyl)-5-oxazolidinone 3-Benzoyl-4-benzyl-2-tert-butyl-oxazolidin-5-one
Wiley ID 1485941