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Valeramide, 2-methyl-N-(2-phenylethyl)-N-dodecyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

Valeramide, 2-methyl-N-(2-phenylethyl)-N-dodecyl-
SpectraBase Compound ID IHS9So6Ug88
InChI InChI=1S/C26H45NO/c1-4-6-7-8-9-10-11-12-13-17-22-27(26(28)24(3)18-5-2)23-21-25-19-15-14-16-20-25/h14-16,19-20,24H,4-13,17-18,21-23H2,1-3H3
InChIKey QIZFFHUUWGSMDA-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 KeP17rer4fA
Name Valeramide, 2-methyl-N-(2-phenylethyl)-N-dodecyl-
Comments Computed using HOSE algorithm
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Exact Mass 387.350115072 u
Formula C26H45NO
InChI InChI=1S/C26H45NO/c1-4-6-7-8-9-10-11-12-13-17-22-27(26(28)24(3)18-5-2)23-21-25-19-15-14-16-20-25/h14-16,19-20,24H,4-13,17-18,21-23H2,1-3H3
InChIKey QIZFFHUUWGSMDA-UHFFFAOYSA-N
Molecular Weight 387.652 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)C(CCC)C)CCCCCCCCCCCC