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3-Isopropenyl-1-(toluene-4-sulfonyl)-2,5,6,7-tetrahydro-1H-azepine
SpectraBase Compound ID DyQZmcNSZbU
InChI InChI=1S/C16H21NO2S/c1-13(2)15-6-4-5-11-17(12-15)20(18,19)16-9-7-14(3)8-10-16/h6-10H,1,4-5,11-12H2,2-3H3
InChIKey ZFZKCIHPOMUCMA-UHFFFAOYSA-N
Mol Weight 291.41 g/mol
Molecular Formula C16H21NO2S
Exact Mass 291.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpYDpO6k9qM
Name 3-Isopropenyl-1-(toluene-4-sulfonyl)-2,5,6,7-tetrahydro-1H-azepine
Alternate Name(s) 6-isopropenyl-1-[(4-methylphenyl)sulfonyl]-2,3,4,7-tetrahydro-1H-azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO2S
InChI InChI=1S/C16H21NO2S/c1-13(2)15-6-4-5-11-17(12-15)20(18,19)16-9-7-14(3)8-10-16/h6-10H,1,4-5,11-12H2,2-3H3
InChIKey ZFZKCIHPOMUCMA-UHFFFAOYSA-N
Molecular Weight 291.409 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)CCCC=C1C(=C)C
SPLASH splash10-052o-7930000000-bae759a3dc5a41a813bd
Source of Spectrum QE-7-3250-49
Wiley ID 845761