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Methyl 4-{N-hexyl-N-[(1S)-phenylethyl]amino}-benzoate
SpectraBase Compound ID EyD2Hx9hRlb
InChI InChI=1S/C22H29NO2/c1-4-5-6-10-17-23(18(2)19-11-8-7-9-12-19)21-15-13-20(14-16-21)22(24)25-3/h7-9,11-16,18H,4-6,10,17H2,1-3H3/t18-/m0/s1
InChIKey BQSSHMSJCIZKIX-SFHVURJKSA-N
Mol Weight 339.48 g/mol
Molecular Formula C22H29NO2
Exact Mass 339.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EytaaUmcCXR
Name Methyl 4-{N-hexyl-N-[(1S)-phenylethyl]amino}-benzoate
Alternate Name(s) Methyl 4-{hexyl[(1S)-1-phenylethyl]amino}benzoate
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Formula C22H29NO2
InChI InChI=1S/C22H29NO2/c1-4-5-6-10-17-23(18(2)19-11-8-7-9-12-19)21-15-13-20(14-16-21)22(24)25-3/h7-9,11-16,18H,4-6,10,17H2,1-3H3/t18-/m0/s1
InChIKey BQSSHMSJCIZKIX-SFHVURJKSA-N
Molecular Weight 339.479 g/mol
SMILES [C@](N(c1ccc(C(=O)OC)cc1)CCCCCC)(c1ccccc1)(C)[H]
SPLASH splash10-0a4i-0902000000-43561d4712fb97956b09
Source of Spectrum D1-2006-3308-3
Wiley ID 1614355