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Sarcosine, N-(1-naphthoyl)-, isohexyl ester
SpectraBase Compound ID 5RQ6Jl5g5kT
InChI InChI=1S/C20H25NO3/c1-15(2)8-7-13-24-19(22)14-21(3)20(23)18-12-6-10-16-9-4-5-11-17(16)18/h4-6,9-12,15H,7-8,13-14H2,1-3H3
InChIKey KYWSXMKJVLOMTD-UHFFFAOYSA-N
Mol Weight 327.42 g/mol
Molecular Formula C20H25NO3
Exact Mass 327.183444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6McdeX69RaZ
Name Sarcosine, N-(1-naphthoyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 327.183443666 u
Formula C20H25NO3
InChI InChI=1S/C20H25NO3/c1-15(2)8-7-13-24-19(22)14-21(3)20(23)18-12-6-10-16-9-4-5-11-17(16)18/h4-6,9-12,15H,7-8,13-14H2,1-3H3
InChIKey KYWSXMKJVLOMTD-UHFFFAOYSA-N
Molecular Weight 327.424 g/mol
SMILES C(C1=C2C=CC=CC2=CC=C1)(=O)N(CC(OCCCC(C)C)=O)C