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(S)-Benzyl methyl(3-methyl-1-oxobutan-2-yl)carbamate
SpectraBase Compound ID EElxQ3j29db
InChI InChI=1S/C14H19NO3/c1-11(2)13(9-16)15(3)14(17)18-10-12-7-5-4-6-8-12/h4-9,11,13H,10H2,1-3H3/t13-/m1/s1
InChIKey MPQSCGNCWKCCEV-CYBMUJFWSA-N
Mol Weight 249.31 g/mol
Molecular Formula C14H19NO3
Exact Mass 249.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5N5bsOg6Eln
Name (S)-Benzyl methyl(3-methyl-1-oxobutan-2-yl)carbamate
Appearance Colorless oil
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Formula C14H19NO3
InChI InChI=1S/C14H19NO3/c1-11(2)13(9-16)15(3)14(17)18-10-12-7-5-4-6-8-12/h4-9,11,13H,10H2,1-3H3/t13-/m1/s1
InChIKey MPQSCGNCWKCCEV-CYBMUJFWSA-N
Instrument Name Finnigan MAT 95 XLT or Thermofinnigan MAT95 XL or Agilent 6890-5975b
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.29
Molecular Weight 249.310 g/mol
Optical Rotation [a]D30 = -35.5 (c = 1.45, CHCl3)
Reported Formula C14H19NO3
SMILES [C@@](N(C)C(=O)OCc1ccccc1)(C(C)C)(C=O)[H]
SPLASH splash10-0006-9300000000-7dbdce757453505ebacd
Source of Spectrum BJO-10-SM3-5
Thin-Layer Chromatography Rf = 0.43 (PE/EtOAc, 5:1)
Wiley ID 1854055