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N,2-Dibenzyl-4-methyl-3-(p-tolylsulfonyl)pentamide
SpectraBase Compound ID LInXbitUyGD
InChI InChI=1S/C27H31NO3S/c1-20(2)26(32(30,31)24-16-14-21(3)15-17-24)25(18-22-10-6-4-7-11-22)27(29)28-19-23-12-8-5-9-13-23/h4-17,20,25-26H,18-19H2,1-3H3,(H,28,29)
InChIKey SZZRPNCIYFYHOV-UHFFFAOYSA-N
Mol Weight 449.61 g/mol
Molecular Formula C27H31NO3S
Exact Mass 449.202465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kLQYh6Jxg
Name N,2-Dibenzyl-4-methyl-3-(p-tolylsulfonyl)pentamide
Alternate Name(s) N,2-dibenzyl-4-methyl-3-[(4-methylphenyl)sulfonyl]pentanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31NO3S
InChI InChI=1S/C27H31NO3S/c1-20(2)26(32(30,31)24-16-14-21(3)15-17-24)25(18-22-10-6-4-7-11-22)27(29)28-19-23-12-8-5-9-13-23/h4-17,20,25-26H,18-19H2,1-3H3,(H,28,29)
InChIKey SZZRPNCIYFYHOV-UHFFFAOYSA-N
Molecular Weight 449.609 g/mol
SMILES N(C(C(C(S(c1ccc(cc1)C)(=O)=O)C(C)C)Cc1ccccc1)=O)Cc1ccccc1
SPLASH splash10-000f-8090100000-286fbf2c7724ba63b26c
Source of Spectrum AJ-66-2343-3
Wiley ID 772180