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Substance Name: Benzonitrile, 4-(4-(butan-2-yl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)-
RN: 125172-14-7
InChIKey: CHEHCLBTSQWYAD-UHFFFAOYSA-N

Molecular Weight

  • 273.33
 
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Names and Synonyms

Synonym

  • 4-(1-sec-Butyl-3,5,8-trioxabicyclo(2.2.2)octan-4-yl)benzonitrile

Systematic Name

  • Benzonitrile, 4-(4-(butan-2-yl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)-

Registry Numbers

CAS Registry Number

  • 125172-14-7

System Generated Number

  • 0125172147

Structure Descriptors

InChI

1S/C16H19NO3/c1-3-12(2)15-9-18-16(19-10-15,20-11-15)14-6-4-13(8-17)5-7-14/h4-7,12H,3,9-11H2,1-2H3

InChIKey

CHEHCLBTSQWYAD-UHFFFAOYSA-N

Smiles

C(c1ccc(cc1)C12OCC(CO1)(CO2)[C@@H](CC)C)#N