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(2R,3R)-4-Oxo-3-(3-oxo-butyl)-2-phenyl-chroman-3-carboxylic acid tert-butyl ester
SpectraBase Compound ID 6xqyHVTJe0J
InChI InChI=1S/C24H26O5/c1-16(25)14-15-24(22(27)29-23(2,3)4)20(26)18-12-8-9-13-19(18)28-21(24)17-10-6-5-7-11-17/h5-13,21H,14-15H2,1-4H3/t21-,24+/m1/s1
InChIKey MPFLFUSFLMAVPQ-QPPBQGQZSA-N
Mol Weight 394.47 g/mol
Molecular Formula C24H26O5
Exact Mass 394.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWdOZnQKMLk
Name (2R,3R)-4-Oxo-3-(3-oxo-butyl)-2-phenyl-chroman-3-carboxylic acid tert-butyl ester
Alternate Name(s) tert-Butyl 4-oxo-3-(3-oxobutyl)-2-phenylchroman-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26O5
InChI InChI=1S/C24H26O5/c1-16(25)14-15-24(22(27)29-23(2,3)4)20(26)18-12-8-9-13-19(18)28-21(24)17-10-6-5-7-11-17/h5-13,21H,14-15H2,1-4H3/t21-,24+/m1/s1
InChIKey MPFLFUSFLMAVPQ-QPPBQGQZSA-N
Molecular Weight 394.467 g/mol
SMILES [C@]1(C(c2ccccc2O[C@@]1(c1ccccc1)[H])=O)(C(OC(C)(C)C)=O)CCC(=O)C
SPLASH splash10-0006-1090000000-8070be56789cd7044af8
Source of Spectrum F-67-5393-6
Wiley ID 1687078