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Substance Name: Butanoic acid, 3,5,5-trimethylhexyl ester
RN: 72939-68-5
InChIKey: HUSIKNOPTGNAOC-NSHDSACASA-N

Molecular Formula

  • C13-H26-O2

Molecular Weight

  • 214.3464
 
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Names and Synonyms

Synonym

  • 3,5,5-Trimethylhexyl butyrate

Systematic Name

  • Butanoic acid, 3,5,5-trimethylhexyl ester

Registry Numbers

CAS Registry Number

  • 72939-68-5

System Generated Number

  • 0072939685

Structure Descriptors

InChI

1S/C13H26O2/c1-6-7-12(14)15-9-8-11(2)10-13(3,4)5/h11H,6-10H2,1-5H3/t11-/m0/s1

InChIKey

HUSIKNOPTGNAOC-NSHDSACASA-N

Smiles

CCCC(=O)OCC[C@H](C)CC(C)(C)C