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Sarcosine, N-(4-fluorobenzoyl)-, propyl ester
SpectraBase Compound ID ElJsWo7LA7l
InChI InChI=1S/C13H16FNO3/c1-3-8-18-12(16)9-15(2)13(17)10-4-6-11(14)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKey HJAJCPABROLTMZ-UHFFFAOYSA-N
Mol Weight 253.27 g/mol
Molecular Formula C13H16FNO3
Exact Mass 253.111422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 59vuYLG659k
Name Sarcosine, N-(4-fluorobenzoyl)-, propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 253.111421539 u
Formula C13H16FNO3
InChI InChI=1S/C13H16FNO3/c1-3-8-18-12(16)9-15(2)13(17)10-4-6-11(14)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKey HJAJCPABROLTMZ-UHFFFAOYSA-N
Molecular Weight 253.273 g/mol
SMILES C1=C(C=CC(=C1)C(N(CC(OCCC)=O)C)=O)F