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Dimethyl 3-benxyl-2-oxo-c-6-phenyltetrahydro-2H-pyran-r-3,c-5-dicarboxylate
SpectraBase Compound ID DC4FI1VHM9X
InChI InChI=1S/C22H22O6/c1-26-19(23)17-14-22(20(24)27-2,13-15-9-5-3-6-10-15)21(25)28-18(17)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-,22-/m1/s1
InChIKey CUGLBXNFAGJNTQ-JBYIUTFZSA-N
Mol Weight 382.41 g/mol
Molecular Formula C22H22O6
Exact Mass 382.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2QRZsCQXdNk
Name Dimethyl 3-benxyl-2-oxo-c-6-phenyltetrahydro-2H-pyran-r-3,c-5-dicarboxylate
Alternate Name(s) (3S,5R,6S)-dimethyl 3-benxyl-2-oxo-c-6-phenyltetrahydro-2H-pyran-r-3,c-5-dicarboxylate Dimethyl (3R,5S,6R)-3-benzyl-2-oxo-6-phenyltetrahydro-2H-pyran-3,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O6
InChI InChI=1S/C22H22O6/c1-26-19(23)17-14-22(20(24)27-2,13-15-9-5-3-6-10-15)21(25)28-18(17)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-,22-/m1/s1
InChIKey CUGLBXNFAGJNTQ-JBYIUTFZSA-N
Molecular Weight 382.412 g/mol
SMILES [C@@]1(C(O[C@@]([C@@](C1)(C(=O)OC)[H])(c1ccccc1)[H])=O)(C(=O)OC)Cc1ccccc1
SPLASH splash10-0kbf-8921000000-0654287fbc680ac05f45
Source of Spectrum JA-49-839-0
Wiley ID 1360616