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N-[3-(3-methyl-4-imidazolyl)prop-2-ynyl]carbamic acid tert-butyl ester
SpectraBase Compound ID L0T3N0zIjIg
InChI InChI=1S/C12H17N3O2/c1-12(2,3)17-11(16)14-7-5-6-10-8-13-9-15(10)4/h8-9H,7H2,1-4H3,(H,14,16)
InChIKey MABRANXPAZNZFN-UHFFFAOYSA-N
Mol Weight 235.29 g/mol
Molecular Formula C12H17N3O2
Exact Mass 235.132077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHtWyoG3ixN
Name N-[3-(3-methyl-4-imidazolyl)prop-2-ynyl]carbamic acid tert-butyl ester
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Formula C12H17N3O2
InChI InChI=1S/C12H17N3O2/c1-12(2,3)17-11(16)14-7-5-6-10-8-13-9-15(10)4/h8-9H,7H2,1-4H3,(H,14,16)
InChIKey MABRANXPAZNZFN-UHFFFAOYSA-N
Molecular Weight 235.287 g/mol
SMILES N(C(=O)OC(C)(C)C)CC#Cc1[n](cnc1)C
SPLASH splash10-05o0-3900000000-2ff1c03a20bd800411dc
Source of Spectrum J-65-2808-12
Synonyms N-[3-(3-methylimidazol-4-yl)prop-2-ynyl]carbamic acid tert-butyl ester tert-Butyl N-[3-(3-methylimidazol-4-yl)prop-2-ynyl]carbamate
Wiley ID 1532539