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(4S,5S)-Methyl 2-(1-chloro-2-methylpropan-2-yl)-5-methyl-4,5-dihydrooxazole-4-carboxylate
SpectraBase Compound ID 6uzWyaZqwkz
InChI InChI=1S/C10H16ClNO3/c1-6-7(8(13)14-4)12-9(15-6)10(2,3)5-11/h6-7H,5H2,1-4H3/t6-,7-/m0/s1
InChIKey ZMEQODJFMDHFKJ-BQBZGAKWSA-N
Mol Weight 233.69 g/mol
Molecular Formula C10H16ClNO3
Exact Mass 233.081871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ID0EDOijsoP
Name (4S,5S)-Methyl 2-(1-chloro-2-methylpropan-2-yl)-5-methyl-4,5-dihydrooxazole-4-carboxylate
Appearance Colorless oil
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Formula C10H16ClNO3
InChI InChI=1S/C10H16ClNO3/c1-6-7(8(13)14-4)12-9(15-6)10(2,3)5-11/h6-7H,5H2,1-4H3/t6-,7-/m0/s1
InChIKey ZMEQODJFMDHFKJ-BQBZGAKWSA-N
Instrument Name VG70-250 or HP6890-5970A or Shimadzu GC-MS-QP2010 SE
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.12.114
Molecular Weight 233.695 g/mol
Optical Rotation [a]D20 = +51.7 (c = 1.12, CHCl3)
SMILES C(C(C1=N[C@@]([C@@](O1)(C)[H])(C(=O)OC)[H])(C)C)Cl
SPLASH splash10-00e9-5900000000-6726d035978553a872fd
Source of Spectrum BJO-12-SM15-12
Thin-Layer Chromatography Rf = 0.25 (EtOAc/Hex, 1:5)
Wiley ID 1854232