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N-[(E,1R,4R)-1-methyl-4-methylol-oct-2-enyl]benzamide

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N-[(E,1R,4R)-1-methyl-4-methylol-oct-2-enyl]benzamide
SpectraBase Compound ID 2hKBvzV4Jnh
InChI InChI=1S/C17H25NO2/c1-3-4-8-15(13-19)12-11-14(2)18-17(20)16-9-6-5-7-10-16/h5-7,9-12,14-15,19H,3-4,8,13H2,1-2H3,(H,18,20)/b12-11+/t14-,15-/m1/s1
InChIKey XYNBRNBPOOCFKW-KPWZGGAESA-N
Mol Weight 275.39 g/mol
Molecular Formula C17H25NO2
Exact Mass 275.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B22YmFZqMC1
Name N-[(E,1R,4R)-1-Methyl-4-methylol-oct-2-enyl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.188529047 u
Formula C17H25NO2
InChI InChI=1S/C17H25NO2/c1-3-4-8-15(13-19)12-11-14(2)18-17(20)16-9-6-5-7-10-16/h5-7,9-12,14-15,19H,3-4,8,13H2,1-2H3,(H,18,20)/b12-11+/t14-,15-/m1/s1
InChIKey XYNBRNBPOOCFKW-KPWZGGAESA-N
Molecular Weight 275.392 g/mol
SMILES C(N[C@@](\C=C\[C@](CO)(CCCC)[H])(C)[H])(=O)C1=CC=CC=C1