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4-Methyl-N-[(3R,4R)-3-(phenylmethoxymethyl)octan-4-yl]benzenesulfonamide
SpectraBase Compound ID I3aBqQGDlZK
InChI InChI=1S/C23H33NO3S/c1-4-6-12-23(24-28(25,26)22-15-13-19(3)14-16-22)21(5-2)18-27-17-20-10-8-7-9-11-20/h7-11,13-16,21,23-24H,4-6,12,17-18H2,1-3H3/t21-,23+/m0/s1
InChIKey ITBMQUYEGNTDTJ-JTHBVZDNSA-N
Mol Weight 403.6 g/mol
Molecular Formula C23H33NO3S
Exact Mass 403.218115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76mkQrg0GMX
Name 4-Methyl-N-[(3R,4R)-3-(phenylmethoxymethyl)octan-4-yl]benzenesulfonamide
Alternate Name(s) N-[(1R)-1-[(1R)-1-(benzoxymethyl)propyl]pentyl]-4-methyl-benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H33NO3S
InChI InChI=1S/C23H33NO3S/c1-4-6-12-23(24-28(25,26)22-15-13-19(3)14-16-22)21(5-2)18-27-17-20-10-8-7-9-11-20/h7-11,13-16,21,23-24H,4-6,12,17-18H2,1-3H3/t21-,23+/m0/s1
InChIKey ITBMQUYEGNTDTJ-JTHBVZDNSA-N
Molecular Weight 403.581 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@@]([C@](COCc1ccccc1)(CC)[H])(CCCC)[H]
SPLASH splash10-0006-4190000000-d78c1a7b8e60e9841521
Source of Spectrum K1-2004-4478-5
Wiley ID 1561845