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

View entire compound with spectra: 1 NMR

Sarcosine, N-(2-trifluoromethylbenzoyl)-, hexadecyl ester
SpectraBase Compound ID F9rO7RxAW5O
InChI InChI=1S/C27H42F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-34-25(32)22-31(2)26(33)23-19-16-17-20-24(23)27(28,29)30/h16-17,19-20H,3-15,18,21-22H2,1-2H3
InChIKey FWJHGWVQUFGBEX-UHFFFAOYSA-N
Mol Weight 485.6 g/mol
Molecular Formula C27H42F3NO3
Exact Mass 485.311679 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5RiljeUTVUO
Name Sarcosine, N-(2-trifluoromethylbenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 485.311678702 u
Formula C27H42F3NO3
InChI InChI=1S/C27H42F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-34-25(32)22-31(2)26(33)23-19-16-17-20-24(23)27(28,29)30/h16-17,19-20H,3-15,18,21-22H2,1-2H3
InChIKey FWJHGWVQUFGBEX-UHFFFAOYSA-N
Molecular Weight 485.632 g/mol
SMILES C1(=CC=CC=C1C(N(CC(OCCCCCCCCCCCCCCCC)=O)C)=O)C(F)(F)F