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2,6-Dimethylheptan-4-yl phenyl(phenylsulfonyl)methylcarbamate
SpectraBase Compound ID HaWyJpMhInX
InChI InChI=1S/C23H31NO4S/c1-17(2)15-20(16-18(3)4)28-23(25)24-22(19-11-7-5-8-12-19)29(26,27)21-13-9-6-10-14-21/h5-14,17-18,20,22H,15-16H2,1-4H3,(H,24,25)
InChIKey KIIZBIUNEJIRPE-UHFFFAOYSA-N
Mol Weight 417.56 g/mol
Molecular Formula C23H31NO4S
Exact Mass 417.19738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJbHg3V4TkP
Name 2,6-Dimethylheptan-4-yl phenyl(phenylsulfonyl)methylcarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31NO4S
InChI InChI=1S/C23H31NO4S/c1-17(2)15-20(16-18(3)4)28-23(25)24-22(19-11-7-5-8-12-19)29(26,27)21-13-9-6-10-14-21/h5-14,17-18,20,22H,15-16H2,1-4H3,(H,24,25)
InChIKey KIIZBIUNEJIRPE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800798
Molecular Weight 417.564 g/mol
SMILES N(C(c1ccccc1)S(c1ccccc1)(=O)=O)C(=O)OC(CC(C)C)CC(C)C
SPLASH splash10-0kcu-8910000000-5fa50abbd649cb33b6c9
Source of Spectrum ASC-351-1019/SM6-8a
Synonyms 2,6-Dimethylheptan-4-yl (phenyl(phenylsulfonyl)methyl)carbamate
Wiley ID 1763726