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syn-2,2-Dimethyl-4-(1-phenyl-2-nitroethyl)-1,3-dioxan-5-one
SpectraBase Compound ID Af1XQP6TzfD
InChI InChI=1S/C14H17NO5/c1-14(2)19-9-12(16)13(20-14)11(8-15(17)18)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3
InChIKey PCJDWMBLBOFFKQ-UHFFFAOYSA-N
Mol Weight 279.29 g/mol
Molecular Formula C14H17NO5
Exact Mass 279.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JDVKdBxyfUZ
Name syn-2,2-Dimethyl-4-(1-phenyl-2-nitroethyl)-1,3-dioxan-5-one
Alternate Name(s) 4,5-Dideoxy-1,3-O-(1-methylethylidene)-5-nitro-4-phenylpent-2-ulose
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO5
InChI InChI=1S/C14H17NO5/c1-14(2)19-9-12(16)13(20-14)11(8-15(17)18)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3
InChIKey PCJDWMBLBOFFKQ-UHFFFAOYSA-N
Molecular Weight 279.292 g/mol
SMILES C1(OCC(C(O1)C(CN(=O)=O)c1ccccc1)=O)(C)C
SPLASH splash10-0umi-8900000000-565cf6ad2fab56cf81b1
Source of Spectrum K1-0-4582-3
Wiley ID 1589712