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4-((R)-2-Hydroxy-1-methyl-ethyl)-2-(3-hydroxy-prop-1-ynyl)-2H-quinoline-1-carboxylic acid phenyl ester
SpectraBase Compound ID I1iElUhJUWb
InChI InChI=1S/C22H21NO4/c1-16(15-25)20-14-17(8-7-13-24)23(21-12-6-5-11-19(20)21)22(26)27-18-9-3-2-4-10-18/h2-6,9-12,14,16-17,24-25H,13,15H2,1H3/t16-,17?/m0/s1
InChIKey WHHHVSLFPIYYSZ-BHWOMJMDSA-N
Mol Weight 363.41 g/mol
Molecular Formula C22H21NO4
Exact Mass 363.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uA7XbO66OE
Name 4-((R)-2-Hydroxy-1-methyl-ethyl)-2-(3-hydroxy-prop-1-ynyl)-2H-quinoline-1-carboxylic acid phenyl ester
Alternate Name(s) 4-{(4S*)-[(2-Hydroxy-1-methyl)ethyl]}-2-[(R*)-3-hydroxyprop-1-ynyl]-2H-quinoline-1-carboxylic acid phenyl ester 4-{(4S*)-[(2-Hydroxy-1-methyl)ethyl]}-2-[(S*)-3-hydroxyprop-1-ynyl]-2H-quinoline-1-carboxylic acid phenyl ester phenyl 4-[(1R)-2-hydroxy-1-methylethyl]-2-(3-hydroxy-1-propynyl)-1(2H)-quinolinecarboxylate
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Formula C22H21NO4
InChI InChI=1S/C22H21NO4/c1-16(15-25)20-14-17(8-7-13-24)23(21-12-6-5-11-19(20)21)22(26)27-18-9-3-2-4-10-18/h2-6,9-12,14,16-17,24-25H,13,15H2,1H3/t16-,17?/m0/s1
InChIKey WHHHVSLFPIYYSZ-BHWOMJMDSA-N
Molecular Weight 363.413 g/mol
SMILES OCC#CC1C=C([C@](CO)(C)[H])c2c(N1C(Oc1ccccc1)=O)cccc2
SPLASH splash10-0fvi-4911000000-3d23310876c013da56b7
Source of Spectrum KD-13-2724-26
Wiley ID 1635676