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(S)-2-Amino-5-[4-(trifluoromethyl)benzene]pent-4-ynoic acid
SpectraBase Compound ID HBKRWmfHF5z
InChI InChI=1S/C12H10F3NO2/c13-12(14,15)9-6-4-8(5-7-9)2-1-3-10(16)11(17)18/h4-7,10H,3,16H2,(H,17,18)/t10-/m0/s1
InChIKey OVNZBAPUNNMECZ-JTQLQIEISA-N
Mol Weight 257.21 g/mol
Molecular Formula C12H10F3NO2
Exact Mass 257.066363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GejU0gJyjNH
Name (S)-2-Amino-5-[4-(trifluoromethyl)benzene]pent-4-ynoic acid
Alternate Name(s) (S)-2-amino-5-(4-(trifluoromethyl)phenyl)pent-4-ynoic acid
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Formula C12H10F3NO2
InChI InChI=1S/C12H10F3NO2/c13-12(14,15)9-6-4-8(5-7-9)2-1-3-10(16)11(17)18/h4-7,10H,3,16H2,(H,17,18)/t10-/m0/s1
InChIKey OVNZBAPUNNMECZ-JTQLQIEISA-N
Literature Reference DOI 10.1039/C5RA22407A
Molecular Weight 257.212 g/mol
SMILES N[C@](C(=O)O)(CC#Cc1ccc(cc1)C(F)(F)F)[H]
SPLASH splash10-0229-9850000000-a2e94849fa36c97f90e2
Source of Spectrum RSA-5-107410-3i
Wiley ID 1802783