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(S)-4-Ethyl-2-[1-butyl-5-(N-phenylsulfonylamino)undecyl]-4,5-dihydrooxazoline
SpectraBase Compound ID BxYMsXV1TqP
InChI InChI=1S/C26H44N2O3S/c1-4-7-9-11-17-24(28-32(29,30)25-19-12-10-13-20-25)18-14-16-22(15-8-5-2)26-27-23(6-3)21-31-26/h10,12-13,19-20,22-24,28H,4-9,11,14-18,21H2,1-3H3/t22?,23-,24?/m0/s1
InChIKey QSQGZXRNKZJKOR-WLXPTCNVSA-N
Mol Weight 464.7 g/mol
Molecular Formula C26H44N2O3S
Exact Mass 464.307264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IK3HU5BZF7k
Name (S)-4-Ethyl-2-[1-butyl-5-(N-phenylsulfonylamino)undecyl]-4,5-dihydrooxazoline
Alternate Name(s) N-{5-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1-hexylnonyl}benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H44N2O3S
InChI InChI=1S/C26H44N2O3S/c1-4-7-9-11-17-24(28-32(29,30)25-19-12-10-13-20-25)18-14-16-22(15-8-5-2)26-27-23(6-3)21-31-26/h10,12-13,19-20,22-24,28H,4-9,11,14-18,21H2,1-3H3/t22?,23-,24?/m0/s1
InChIKey QSQGZXRNKZJKOR-WLXPTCNVSA-N
Molecular Weight 464.709 g/mol
SMILES N(S(=O)(=O)c1ccccc1)C(CCCC(C1=N[C@@](CC)(CO1)[H])CCCC)CCCCCC
SPLASH splash10-004i-5900000000-34c603929e4d32698d3f
Source of Spectrum SO-0-322-6
Wiley ID 874336