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Sarcosine, N-(3-fluorobenzoyl)-, hexyl ester
SpectraBase Compound ID AJPhSgk8iso
InChI InChI=1S/C16H22FNO3/c1-3-4-5-6-10-21-15(19)12-18(2)16(20)13-8-7-9-14(17)11-13/h7-9,11H,3-6,10,12H2,1-2H3
InChIKey FMPYAHUESVIVFQ-UHFFFAOYSA-N
Mol Weight 295.35 g/mol
Molecular Formula C16H22FNO3
Exact Mass 295.158372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BqTRl5sU5j6
Name Sarcosine, N-(3-fluorobenzoyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 295.158371732 u
Formula C16H22FNO3
InChI InChI=1S/C16H22FNO3/c1-3-4-5-6-10-21-15(19)12-18(2)16(20)13-8-7-9-14(17)11-13/h7-9,11H,3-6,10,12H2,1-2H3
InChIKey FMPYAHUESVIVFQ-UHFFFAOYSA-N
Molecular Weight 295.354 g/mol
SMILES C1=C(C=CC=C1C(=O)N(CC(OCCCCCC)=O)C)F