CAS Registry Number: 336829-92-6

Name:

4-​Hexyn-​1-​ol, 2,​2-​dimethyl-

Chemical Formula: C8H14O
Exact Mass: 126.10
Molecular Weight: 126.20
m/z: 126.10 (100.0%), 127.11 (8.9%)

InChI: InChI=1S/C8H14O/c1-4-5-6-8(2,3)7-9/h9H,6-7H2,1-3H3
InChIKey: PMQOMJCJNCMFSO-UHFFFAOYSA-N
Canonical SMILES : CC#CCC(C)(C)CO

Specification

98%

PCT Int. Appl. (2011), WO 2011025849 A1 20110303.                                 

Journal of Organic Chemistry (2011), 76(22), 9553.