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CAS Number: 86770-31-2
2-tert-butyl 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Structure

2-tert-butyl 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Name: 2-tert-butyl 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Synonyms:
General Information
Product Number: 86770312

CAS Registry Number 86770-31-2
Name:
1H-​Pyrrole-​2,​4-​dicarboxylic acid, 3,​5-​dimethyl-​, 2-​(1,​1-​dimethylethyl) 4-​ethyl ester
2-tert-Butyl 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
2-tert-Butyloxycarbonyl-3,5-dimethyl-4-ethoxycarbonylpyrrole
3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester

 

Chemical Formula: C14H21NO4
Exact Mass: 267.15
Molecular Weight: 267.32
m/z: 267.15 (100.0%), 268.15 (15.5%), 269.15 (2.0%)

 

InChI:InChI=1S/C14H21NO4/c1-7-18-12(16)10-8(2)11(15-9(10)3)13(17)19-14(4,5)6/h15H,7H2,1-6H3

InChI Key:CJXJFSNESZDOGK-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)C1=C(NC(=C1C)C(=O)OC(C)(C)C)C

Specification

98%

References
  1. (2) Kang, Si-Shun; Acta Crystallographica, Section E: Structure Reports Online 2007, V63(10), Po4186, So4186/1-So4186/6 CAPLUS
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