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1-[N-(2-Hydroxyethyl)(4-methylbenzene)sulfonamide]-3-phenylbut-3-en-2-yl acetate
SpectraBase Compound ID 5Wmt6Iz6pH6
InChI InChI=1S/C21H25NO5S/c1-16-9-11-20(12-10-16)28(25,26)22(13-14-23)15-21(27-18(3)24)17(2)19-7-5-4-6-8-19/h4-12,21,23H,2,13-15H2,1,3H3
InChIKey NSEMHBAAPQWCBO-UHFFFAOYSA-N
Mol Weight 403.49 g/mol
Molecular Formula C21H25NO5S
Exact Mass 403.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCUJ7UlEbvN
Name 1-[N-(2-Hydroxyethyl)(4-methylbenzene)sulfonamide]-3-phenylbut-3-en-2-yl acetate
Alternate Name(s) 1-((N-(2-hydroxyethyl)-4-methylphenyl)sulfonamido)-3-phenylbut-3-en-2-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO5S
InChI InChI=1S/C21H25NO5S/c1-16-9-11-20(12-10-16)28(25,26)22(13-14-23)15-21(27-18(3)24)17(2)19-7-5-4-6-8-19/h4-12,21,23H,2,13-15H2,1,3H3
InChIKey NSEMHBAAPQWCBO-UHFFFAOYSA-N
Molecular Weight 403.493 g/mol
SMILES OCCN(CC(OC(C)=O)C(c1ccccc1)=C)S(c1ccc(C)cc1)(=O)=O
SPLASH splash10-004i-0090000000-344da06c1d0afe86ef3e
Source of Spectrum KD-51-8027/SM30-30_2
Wiley ID 1803690