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Sarcosine, N-(2-trifluoromethylbenzoyl)-, decyl ester

View entire compound with spectra: 1 NMR

Sarcosine, N-(2-trifluoromethylbenzoyl)-, decyl ester
SpectraBase Compound ID 1aoKE9Luw1o
InChI InChI=1S/C21H30F3NO3/c1-3-4-5-6-7-8-9-12-15-28-19(26)16-25(2)20(27)17-13-10-11-14-18(17)21(22,23)24/h10-11,13-14H,3-9,12,15-16H2,1-2H3
InChIKey VDLGWOCKHJDOOP-UHFFFAOYSA-N
Mol Weight 401.47 g/mol
Molecular Formula C21H30F3NO3
Exact Mass 401.217778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 48XjXN4zuQG
Name Sarcosine, N-(2-trifluoromethylbenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 401.217778316 u
Formula C21H30F3NO3
InChI InChI=1S/C21H30F3NO3/c1-3-4-5-6-7-8-9-12-15-28-19(26)16-25(2)20(27)17-13-10-11-14-18(17)21(22,23)24/h10-11,13-14H,3-9,12,15-16H2,1-2H3
InChIKey VDLGWOCKHJDOOP-UHFFFAOYSA-N
Molecular Weight 401.470 g/mol
SMILES C1(=CC=CC=C1C(N(CC(OCCCCCCCCCC)=O)C)=O)C(F)(F)F