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Glycine, N-(2-trifluoromethylbenzoyl)-, heptyl ester

View entire compound with spectra: 1 NMR

Glycine, N-(2-trifluoromethylbenzoyl)-, heptyl ester
SpectraBase Compound ID 37yKLEk4Ae7
InChI InChI=1S/C17H22F3NO3/c1-2-3-4-5-8-11-24-15(22)12-21-16(23)13-9-6-7-10-14(13)17(18,19)20/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,21,23)
InChIKey VOEQQMZIMRSGJV-UHFFFAOYSA-N
Mol Weight 345.36 g/mol
Molecular Formula C17H22F3NO3
Exact Mass 345.155178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KXatlE0QYGD
Name Glycine, N-(2-trifluoromethylbenzoyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 345.155178058 u
Formula C17H22F3NO3
InChI InChI=1S/C17H22F3NO3/c1-2-3-4-5-8-11-24-15(22)12-21-16(23)13-9-6-7-10-14(13)17(18,19)20/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,21,23)
InChIKey VOEQQMZIMRSGJV-UHFFFAOYSA-N
Molecular Weight 345.362 g/mol
SMILES C1(=CC=CC=C1C(NCC(OCCCCCCC)=O)=O)C(F)(F)F