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(2R,3R)-3-Chloro-4-oxo-2-phenyl-chroman-3-carboxylic acid tert-butyl ester
SpectraBase Compound ID KDHrkftYEnL
InChI InChI=1S/C20H19ClO4/c1-19(2,3)25-18(23)20(21)16(22)14-11-7-8-12-15(14)24-17(20)13-9-5-4-6-10-13/h4-12,17H,1-3H3/t17-,20+/m1/s1
InChIKey FMXWORLUXCVXKT-XLIONFOSSA-N
Mol Weight 358.82 g/mol
Molecular Formula C20H19ClO4
Exact Mass 358.097187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DvbOwXI8i3f
Name (2R,3R)-3-Chloro-4-oxo-2-phenyl-chroman-3-carboxylic acid tert-butyl ester
Alternate Name(s) tert-Butyl 3-chloro-4-oxo-2-phenylchroman-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19ClO4
InChI InChI=1S/C20H19ClO4/c1-19(2,3)25-18(23)20(21)16(22)14-11-7-8-12-15(14)24-17(20)13-9-5-4-6-10-13/h4-12,17H,1-3H3/t17-,20+/m1/s1
InChIKey FMXWORLUXCVXKT-XLIONFOSSA-N
Molecular Weight 358.821 g/mol
SMILES [C@@]1(C(c2c(cccc2)O[C@@]1(c1ccccc1)[H])=O)(C(OC(C)(C)C)=O)Cl
SPLASH splash10-00xr-1920000000-14bcd331435996cbe23b
Source of Spectrum F-67-5393-8
Wiley ID 1687076