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(2S)-2-(4-chloranyl-2-methyl-phenoxy)-N-[(1R)-1-phenylethyl]propanamide
SpectraBase Compound ID B3MTSAlBTAA
InChI InChI=1S/C18H20ClNO2/c1-12-11-16(19)9-10-17(12)22-14(3)18(21)20-13(2)15-7-5-4-6-8-15/h4-11,13-14H,1-3H3,(H,20,21)/t13-,14+/m1/s1
InChIKey DEPHNPPMZIRNBU-KGLIPLIRSA-N
Mol Weight 317.82 g/mol
Molecular Formula C18H20ClNO2
Exact Mass 317.118257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50cXYJc2vtB
Name (2S)-2-(4-chloranyl-2-methyl-phenoxy)-N-[(1R)-1-phenylethyl]propanamide
Alternate Name(s) (2S)-2-(4-chloro-2-methyl-phenoxy)-N-[(1R)-1-phenylethyl]propanamide (2S)-2-(4-chloro-2-methyl-phenoxy)-N-[(1R)-1-phenylethyl]propionamide
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Formula C18H20ClNO2
InChI InChI=1S/C18H20ClNO2/c1-12-11-16(19)9-10-17(12)22-14(3)18(21)20-13(2)15-7-5-4-6-8-15/h4-11,13-14H,1-3H3,(H,20,21)/t13-,14+/m1/s1
InChIKey DEPHNPPMZIRNBU-KGLIPLIRSA-N
Molecular Weight 317.816 g/mol
SMILES N(C([C@@](Oc1c(cc(cc1)Cl)C)(C)[H])=O)[C@@](c1ccccc1)(C)[H]
SPLASH splash10-0006-9400000000-c52bed4bbffe77856ecd
Source of Spectrum J-61-7289-8
Wiley ID 1317694