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4-Oxazolecarboxylic acid, 4,5-dihydro-5-methyl-4-(3-methylbutyl)-2-phenyl-, methyl ester, (4R-cis)-
SpectraBase Compound ID K1SEQhv1fA2
InChI InChI=1S/C17H23NO3/c1-12(2)10-11-17(16(19)20-4)13(3)21-15(18-17)14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3/t13-,17-/m1/s1
InChIKey KYZYYEYIKOHISA-CXAGYDPISA-N
Mol Weight 289.38 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47OZ4KQ3TSS
Name 4-Oxazolecarboxylic acid, 4,5-dihydro-5-methyl-4-(3-methylbutyl)-2-phenyl-, methyl ester, (4R-cis)-
CAS Registry Number 114041-57-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-12(2)10-11-17(16(19)20-4)13(3)21-15(18-17)14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3/t13-,17-/m1/s1
InChIKey KYZYYEYIKOHISA-CXAGYDPISA-N
Molecular Weight 289.375 g/mol
SMILES [C@@]1(N=C(c2ccccc2)O[C@@]1(C)[H])(C(=O)OC)CCC(C)C
SPLASH splash10-053u-9780000000-340c6c41d4042adc4708
Source of Spectrum H-70-1207-5
Synonyms (4R,5R)-4,5-dihydro-5-methyl-4-(3'-methylbutyl)-2-phenyloxazole-4-carbonsaure-methylester Methyl (4R,5R)-4-isopentyl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
Wiley ID 1292769