CAS Registry Number: 173306-82-6

Name:

4-​Pentynoic acid, 2-​[[(1,​1-​dimethylethoxy)​carbonyl]​amino]​-​, methyl ester

Deleted CAS Registry Numbers: 156769-​82-​3

Chemical Formula: C11H17NO4
Exact Mass: 227.12
Molecular Weight: 227.26
m/z: 227.12 (100.0%), 228.12 (12.2%), 229.12 (1.5%)
Elemental Analysis: C, 58.14; H, 7.54; N, 6.16; O, 28.16

InChI: InChI=1S/C11H17NO4/c1-6-7-8(9(13)15-5)12-10(14)16-11(2,3)4/h1,8H,7H2,2-5H3,(H,12,14)
InChIKey: QPMUXIIQQHTMKO-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)NC(CC#C)C(=O)OC

Specification

98%

(1) Okada, Takuya; Tetrahedron Letters 2010, V51(29), P3765-3768 CAPLUS