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anti-2,2-Diethoxy-6-nitro-5-phenylheptan-3-one
SpectraBase Compound ID 4QeulC2jsXL
InChI InChI=1S/C17H25NO5/c1-5-22-17(4,23-6-2)16(19)12-15(13(3)18(20)21)14-10-8-7-9-11-14/h7-11,13,15H,5-6,12H2,1-4H3
InChIKey JHYILYWBIYUNKZ-UHFFFAOYSA-N
Mol Weight 323.39 g/mol
Molecular Formula C17H25NO5
Exact Mass 323.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KlCfQVqbxYO
Name anti-2,2-Diethoxy-6-nitro-5-phenylheptan-3-one
Alternate Name(s) syn-2,2-Diethoxy-6-nitro-5-phenylheptan-3-one 2,2-Diethoxy-6-nitro-5-phenyl-3-heptanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25NO5
InChI InChI=1S/C17H25NO5/c1-5-22-17(4,23-6-2)16(19)12-15(13(3)18(20)21)14-10-8-7-9-11-14/h7-11,13,15H,5-6,12H2,1-4H3
InChIKey JHYILYWBIYUNKZ-UHFFFAOYSA-N
Molecular Weight 323.389 g/mol
SMILES C(N(=O)=O)(C(CC(C(OCC)(OCC)C)=O)c1ccccc1)C
SPLASH splash10-02tc-9500000000-e16dd9a12d6b968c4d50
Source of Spectrum SO-0-246-5
Wiley ID 873398