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4-Oxazolecarboxylic acid, 4-benzoyl-4,5-dihydro-5-methyl-2-phenyl-, methyl ester, (4S-cis)-
SpectraBase Compound ID HxaRCJg1S58
InChI InChI=1S/C19H17NO4/c1-13-19(18(22)23-2,16(21)14-9-5-3-6-10-14)20-17(24-13)15-11-7-4-8-12-15/h3-13H,1-2H3/t13-,19+/m1/s1
InChIKey SQUXBIOZPPRIMF-YJYMSZOUSA-N
Mol Weight 323.35 g/mol
Molecular Formula C19H17NO4
Exact Mass 323.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLLpa7cZdc
Name 4-Oxazolecarboxylic acid, 4-benzoyl-4,5-dihydro-5-methyl-2-phenyl-, methyl ester, (4S-cis)-
CAS Registry Number 114041-64-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17NO4
InChI InChI=1S/C19H17NO4/c1-13-19(18(22)23-2,16(21)14-9-5-3-6-10-14)20-17(24-13)15-11-7-4-8-12-15/h3-13H,1-2H3/t13-,19+/m1/s1
InChIKey SQUXBIOZPPRIMF-YJYMSZOUSA-N
Molecular Weight 323.348 g/mol
SMILES [C@]1(N=C(c2ccccc2)O[C@@]1(C)[H])(C(=O)c1ccccc1)C(=O)OC
SPLASH splash10-0a6r-3910000000-e222644b0a580e224245
Source of Spectrum H-70-1209-5
Synonyms (4S,5R)-4-benzoyl-4,5-dihydro-5-methyl-2-phenyloxazole-4-carbonsaure-methylester Methyl (4S,5R)-4-benzoyl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
Wiley ID 1322499