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anti-2,2-Diethoxy-6-nitro-5,6-diphenylhexan-3-one
SpectraBase Compound ID 9DQreBqqDVq
InChI InChI=1S/C22H27NO5/c1-4-27-22(3,28-5-2)20(24)16-19(17-12-8-6-9-13-17)21(23(25)26)18-14-10-7-11-15-18/h6-15,19,21H,4-5,16H2,1-3H3
InChIKey UQKXFCVHRKZUQC-UHFFFAOYSA-N
Mol Weight 385.46 g/mol
Molecular Formula C22H27NO5
Exact Mass 385.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jqk2sD6rtu9
Name anti-2,2-Diethoxy-6-nitro-5,6-diphenylhexan-3-one
Alternate Name(s) syn-2,2-Diethoxy-6-nitro-5,6-diphenylhexan-3-one 2,2-Diethoxy-6-nitro-5,6-diphenyl-3-hexanone
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Formula C22H27NO5
InChI InChI=1S/C22H27NO5/c1-4-27-22(3,28-5-2)20(24)16-19(17-12-8-6-9-13-17)21(23(25)26)18-14-10-7-11-15-18/h6-15,19,21H,4-5,16H2,1-3H3
InChIKey UQKXFCVHRKZUQC-UHFFFAOYSA-N
Molecular Weight 385.460 g/mol
SMILES C(N(=O)=O)(C(CC(C(OCC)(OCC)C)=O)c1ccccc1)c1ccccc1
SPLASH splash10-02tc-9700000000-8b9db72405ff27847915
Source of Spectrum SO-0-246-5
Wiley ID 873390