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N-((3R*,5R*)-5-Hydroxytetradec-1-en-3-yl)-4-methylbenzenesulfonamide

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N-((3R*,5R*)-5-Hydroxytetradec-1-en-3-yl)-4-methylbenzenesulfonamide
SpectraBase Compound ID 8TvdHGDQRMn
InChI InChI=1S/C21H35NO3S/c1-4-6-7-8-9-10-11-12-20(23)17-19(5-2)22-26(24,25)21-15-13-18(3)14-16-21/h5,13-16,19-20,22-23H,2,4,6-12,17H2,1,3H3/t19-,20+/m0/s1
InChIKey CRSVKKGEPMMEDS-VQTJNVASSA-N
Mol Weight 381.6 g/mol
Molecular Formula C21H35NO3S
Exact Mass 381.233765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID eZBqCdKdW5
Name N-((3R*,5R*)-5-Hydroxytetradec-1-en-3-yl)-4-methylbenzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.233765162 u
Formula C21H35NO3S
InChI InChI=1S/C21H35NO3S/c1-4-6-7-8-9-10-11-12-20(23)17-19(5-2)22-26(24,25)21-15-13-18(3)14-16-21/h5,13-16,19-20,22-23H,2,4,6-12,17H2,1,3H3/t19-,20+/m0/s1
InChIKey CRSVKKGEPMMEDS-VQTJNVASSA-N
Molecular Weight 381.575 g/mol
SMILES [C@](C[C@](C=C)(NS(C1=CC=C(C=C1)C)(=O)=O)[H])(O)(CCCCCCCCC)[H]