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Linoleoyl glycine, N-(isopropyl)-
SpectraBase Compound ID IPgBxmShyT3
InChI InChI=1S/C23H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24(21(2)3)20-23(26)27/h8-9,11-12,21H,4-7,10,13-20H2,1-3H3,(H,26,27)/b9-8-,12-11-
InChIKey ZZNMBWKMJVDXGD-MURFETPASA-N
Mol Weight 379.6 g/mol
Molecular Formula C23H41NO3
Exact Mass 379.308644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8zIo6yBhmhs
Name Linoleoyl glycine, N-(isopropyl)-
Comments Computed using HOSE algorithm
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Exact Mass 379.308644181 u
Formula C23H41NO3
InChI InChI=1S/C23H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24(21(2)3)20-23(26)27/h8-9,11-12,21H,4-7,10,13-20H2,1-3H3,(H,26,27)/b9-8-,12-11-
InChIKey ZZNMBWKMJVDXGD-MURFETPASA-N
Molecular Weight 379.585 g/mol
SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)N(CC(=O)O)C(C)C