4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-nitrophenyl)-1-butanone

CAS Registry Number®

898786-30-6

CAS Name

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-nitrophenyl)-1-butanone

Molecular Formula

C16H21NO5

Molecular Mass

307.34

Cite this Page

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-nitrophenyl)-1-butanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898786-30-6 (retrieved 2024-11-28) (CAS RN: 898786-30-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H21NO5/c1-16(2)10-21-15(22-11-16)5-3-4-14(18)12-6-8-13(9-7-12)17(19)20/h6-9,15H,3-5,10-11H2,1-2H3

InChIKey

InChIKey=IWRQPFNOROSSTR-UHFFFAOYSA-N

SMILES

C(CCCC1OCC(C)(C)CO1)(=O)C2=CC=C(N(=O)=O)C=C2

Canonical SMILES

O=C(C1=CC=C(C=C1)N(=O)=O)CCCC2OCC(C)(C)CO2

Other Names for this Substance

  • 1-Butanone, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-nitrophenyl)-
  • 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-nitrophenyl)-1-butanone

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