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NQQBBLAPKAPDEV-UHFFFAOYSA-N
SpectraBase Compound ID E8urNKHetda
InChI InChI=1S/C15H15F3N2O4/c1-23-12(21)14(8-5-9-19,15(16,17)18)20-13(22)24-10-11-6-3-2-4-7-11/h2-4,6-7H,9-10,19H2,1H3,(H,20,22)
InChIKey NQQBBLAPKAPDEV-UHFFFAOYSA-N
Mol Weight 344.29 g/mol
Molecular Formula C15H15F3N2O4
Exact Mass 344.098391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BskoE4hXuO
Name Methyl 5-Amino-.alpha.-N-(benzyloxycarbonyl)amino-.alpha.-(trifluoromethyl)pent-3-yn-1-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15F3N2O4
InChI InChI=1S/C15H15F3N2O4/c1-23-12(21)14(8-5-9-19,15(16,17)18)20-13(22)24-10-11-6-3-2-4-7-11/h2-4,6-7H,9-10,19H2,1H3,(H,20,22)
InChIKey NQQBBLAPKAPDEV-UHFFFAOYSA-N
Molecular Weight 344.290 g/mol
SMILES N(C(C#CCN)(C(F)(F)F)C(=O)OC)C(=O)OCc1ccccc1
SPLASH splash10-004i-0129000000-1dbe73d8c94d77b86ab1
Source of Spectrum J-66-132-8
Synonyms Methyl 5-amino-2-{[(benzyloxy)carbonyl]amino}-2-(trifluoromethyl)-3-pentynoate
Wiley ID 1534205