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Heptanamide, N-hexyl-N-[3-[methyl-D3-[(4-methylphenyl)sulfonyl]amino]propyl]-
SpectraBase Compound ID LoFJR3KSk06
InChI InChI=1S/C24H42N2O3S/c1-5-7-9-11-14-24(27)26(20-12-10-8-6-2)21-13-19-25(4)30(28,29)23-17-15-22(3)16-18-23/h15-18H,5-14,19-21H2,1-4H3/i4D3
InChIKey SBOJATLNXNTYOS-GKOSEXJESA-N
Mol Weight 441.7 g/mol
Molecular Formula C24H392D3N2O3S
Exact Mass 441.310445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYLiiC4vuME
Name Heptanamide, N-hexyl-N-[3-[methyl-D3-[(4-methylphenyl)sulfonyl]amino]propyl]-
Alternate Name(s) N-[3-(Trideuteriomethyl)tosylamino]propyl-N-hexyl-heptanamide
CAS Registry Number 67138-94-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H39D3N2O3S
InChI InChI=1S/C24H42N2O3S/c1-5-7-9-11-14-24(27)26(20-12-10-8-6-2)21-13-19-25(4)30(28,29)23-17-15-22(3)16-18-23/h15-18H,5-14,19-21H2,1-4H3/i4D3
InChIKey SBOJATLNXNTYOS-GKOSEXJESA-N
Molecular Weight 441.689 g/mol
SMILES c1(S(N(CCCN(C(=O)CCCCCC)CCCCCC)C([2D])([2D])[2D])(=O)=O)ccc(cc1)C
SPLASH splash10-00di-9340000000-69b771ff6635f13e1701
Source of Spectrum H-61-1047-0
Wiley ID 123420