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(S)-4-Ethyl-2-[1-allyl-11-(N-phenylsulfonylamino)undecyl]-4,5-dihydrooxazoline
SpectraBase Compound ID A2QUlAfl2bY
InChI InChI=1S/C25H40N2O3S/c1-3-16-22(25-27-23(4-2)21-30-25)17-12-9-7-5-6-8-10-15-20-26-31(28,29)24-18-13-11-14-19-24/h3,11,13-14,18-19,22-23,26H,1,4-10,12,15-17,20-21H2,2H3/t22?,23-/m0/s1
InChIKey NJYOKNXYWGYLIR-WCSIJFPASA-N
Mol Weight 448.7 g/mol
Molecular Formula C25H40N2O3S
Exact Mass 448.275964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LP8IfCIVTiP
Name (S)-4-Ethyl-2-[1-allyl-11-(N-phenylsulfonylamino)undecyl]-4,5-dihydrooxazoline
Alternate Name(s) N-{11-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-13-tetradecenyl}benzenesulfonamide
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Formula C25H40N2O3S
InChI InChI=1S/C25H40N2O3S/c1-3-16-22(25-27-23(4-2)21-30-25)17-12-9-7-5-6-8-10-15-20-26-31(28,29)24-18-13-11-14-19-24/h3,11,13-14,18-19,22-23,26H,1,4-10,12,15-17,20-21H2,2H3/t22?,23-/m0/s1
InChIKey NJYOKNXYWGYLIR-WCSIJFPASA-N
Molecular Weight 448.666 g/mol
SMILES N(S(=O)(=O)c1ccccc1)CCCCCCCCCCC(C1=N[C@@](CC)(CO1)[H])CC=C
SPLASH splash10-0ufr-4900000000-faa7e567c19a7e542211
Source of Spectrum SO-0-322-6
Wiley ID 874331