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Ethyl 4-(2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]ethyl)-1H-imidazole-1-carboxylate
SpectraBase Compound ID DbKJ72gYeGT
InChI InChI=1S/C12H12F7N3O3/c1-2-25-9(24)22-5-7(21-6-22)3-4-20-8(23)10(13,14)11(15,16)12(17,18)19/h5-6H,2-4H2,1H3,(H,20,23)
InChIKey PYSMIFRRXNRZAQ-UHFFFAOYSA-N
Mol Weight 379.23 g/mol
Molecular Formula C12H12F7N3O3
Exact Mass 379.076688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9wuA3bHvSMQ
Name Ethyl 4-(2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]ethyl)-1H-imidazole-1-carboxylate
CAS Registry Number 71642-14-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12F7N3O3
InChI InChI=1S/C12H12F7N3O3/c1-2-25-9(24)22-5-7(21-6-22)3-4-20-8(23)10(13,14)11(15,16)12(17,18)19/h5-6H,2-4H2,1H3,(H,20,23)
InChIKey PYSMIFRRXNRZAQ-UHFFFAOYSA-N
Molecular Weight 379.235 g/mol
SMILES N(CCc1c[n](cn1)C(=O)OCC)C(C(C(C(F)(F)F)(F)F)(F)F)=O
SPLASH splash10-02wc-9300000000-81d33ac5683fd219af6a
Source of Spectrum W5-1989-9445-1
Synonyms 4-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl]imidazole-1-carboxylic acid ethyl ester 4-[2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]ethyl]-1-imidazolecarboxylic acid ethyl ester Ethyl 4-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl]imidazole-1-carboxylate Ethyl 4-[2-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]ethyl]imidazole-1-carboxylate N-.alpha.-Heptafluorobutyryl-N-tele-ethoxycarbonylhistamine
Wiley ID 1359142