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(8RS,12R,13S)-3-(4-Methylphenyl)-3-methyl-6-[(2-acetoxy-1-hydroxy)ethyl]-1,2-Dioxane
SpectraBase Compound ID 4YQ9AvqtTbH
InChI InChI=1S/C16H22O5/c1-11-4-6-13(7-5-11)16(3)9-8-15(20-21-16)14(18)10-19-12(2)17/h4-7,14-15,18H,8-10H2,1-3H3/t14-,15+,16+/m0/s1
InChIKey NADKNVFHEPDFSM-ARFHVFGLSA-N
Mol Weight 294.35 g/mol
Molecular Formula C16H22O5
Exact Mass 294.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5dNtv6LQiXC
Name (8RS,12R,13S)-3-(4-Methylphenyl)-3-methyl-6-[(2-acetoxy-1-hydroxy)ethyl]-1,2-Dioxane
Alternate Name(s) 7-O-acetyl-1,3,4-trideoxy-2-C-(4-methylphenyl)heptitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O5
InChI InChI=1S/C16H22O5/c1-11-4-6-13(7-5-11)16(3)9-8-15(20-21-16)14(18)10-19-12(2)17/h4-7,14-15,18H,8-10H2,1-3H3/t14-,15+,16+/m0/s1
InChIKey NADKNVFHEPDFSM-ARFHVFGLSA-N
Molecular Weight 294.347 g/mol
SMILES O[C@]([C@@]1(OO[C@@](c2ccc(cc2)C)(CC1)C)[H])(COC(=O)C)[H]
SPLASH splash10-014i-0900000000-ee5b6bb2a49161c6e99e
Source of Spectrum J-60-3043-15
Wiley ID 1297156