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Valeramide, 5-phenyl-N-(2-pentyl)-N-decyl-
SpectraBase Compound ID 9lGSbwzUTLZ
InChI InChI=1S/C26H45NO/c1-4-6-7-8-9-10-11-17-23-27(24(3)18-5-2)26(28)22-16-15-21-25-19-13-12-14-20-25/h12-14,19-20,24H,4-11,15-18,21-23H2,1-3H3
InChIKey HHZKDVWNEVEDHV-UHFFFAOYSA-N
Mol Weight 387.7 g/mol
Molecular Formula C26H45NO
Exact Mass 387.350115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B1uQEVz2W8K
Name Valeramide, 5-phenyl-N-(2-pentyl)-N-decyl-
Comments Computed using HOSE algorithm
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Exact Mass 387.350115072 u
Formula C26H45NO
InChI InChI=1S/C26H45NO/c1-4-6-7-8-9-10-11-17-23-27(24(3)18-5-2)26(28)22-16-15-21-25-19-13-12-14-20-25/h12-14,19-20,24H,4-11,15-18,21-23H2,1-3H3
InChIKey HHZKDVWNEVEDHV-UHFFFAOYSA-N
Molecular Weight 387.652 g/mol
SMILES C(N(CCCCCCCCCC)C(CCC)C)(=O)CCCCC=1C=CC=CC1