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CAS Number: 195812-68-1
isopropyl 3-acetylpicolinate

Structure

isopropyl 3-acetylpicolinate
Name: isopropyl 3-acetylpicolinate
Synonyms:
General Information
Product Number: 195812681
CAS Registry Number: 195812-68-1
Name:
2-​Pyridinecarboxylic acid, 3-​acetyl-​, 1-​methylethyl ester
3-​Acetylpyridine-​2-​carboxylic acid isopropyl ester 
 
Chemical Formula: C11H13NO3
Exact Mass: 207.09
Molecular Weight: 207.23
m/z: 207.09 (100.0%), 208.09 (12.4%)
Elemental Analysis: C, 63.76; H, 6.32; N, 6.76; O, 23.16
 
InChI: InChI=1S/C11H13NO3/c1-7(2)15-11(14)10-9(8(3)13)5-4-6-12-10/h4-7H,1-3H3
InChIKey: KTGMAKWQZOTIDD-UHFFFAOYSA-N
Canonical SMILES : CC(C)OC(=O)C1=C(C=CC=N1)C(=O)C

Specification

98%

References

PCT Int. Appl. (2004), WO 2004096807 A2 20041111.                                  

Advanced Synthesis & Catalysis (2003), 345(1+2), 67-77.

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