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threo-Pentonic acid, 2,4-dideoxy-2,2,4-trimethyl-5-C-phenyl-, .delta.-lactone, (5S*)-

View entire compound with spectra: 1 MS (GC)

threo-Pentonic acid, 2,4-dideoxy-2,2,4-trimethyl-5-C-phenyl-, .delta.-lactone, (5S*)-
SpectraBase Compound ID 4vwQ8ZHT4dA
InChI InChI=1S/C14H18O3/c1-9-11(10-7-5-4-6-8-10)17-13(16)14(2,3)12(9)15/h4-9,11-12,15H,1-3H3
InChIKey MZEWZCUPZYEDOJ-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AoiQqSjjK1u
Name threo-Pentonic acid, 2,4-dideoxy-2,2,4-trimethyl-5-C-phenyl-, .delta.-lactone, (5S*)-
Alternate Name(s) 3,4,5,6-Tetrahydro-4-hydroxy-3,3,5-trimethyl-6-phenyl-2-pyrone 4-Hydroxy-3,3,5-trimethyl-6-phenyloxan-2-one
CAS Registry Number 117642-44-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-9-11(10-7-5-4-6-8-10)17-13(16)14(2,3)12(9)15/h4-9,11-12,15H,1-3H3
InChIKey MZEWZCUPZYEDOJ-UHFFFAOYSA-N
Molecular Weight 234.295 g/mol
SMILES OC1C(C(OC(C1C)c1ccccc1)=O)(C)C
SPLASH splash10-014i-0900000000-32e0541d8b8e590a18de
Source of Spectrum KC-1988-2321-31
Wiley ID 1236144