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(2R*,6S*)-1-(4-Methylphenylsulfonyl)-2,6-dimethyl-2-vinylazepane
SpectraBase Compound ID FD6NzKzp6CW
InChI InChI=1S/C17H25NO2S/c1-5-17(4)12-6-7-15(3)13-18(17)21(19,20)16-10-8-14(2)9-11-16/h5,8-11,15H,1,6-7,12-13H2,2-4H3/t15-,17-/m0/s1
InChIKey XIOYLQCJKQUIPK-RDJZCZTQSA-N
Mol Weight 307.45 g/mol
Molecular Formula C17H25NO2S
Exact Mass 307.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZ11FlsVgH8
Name (2R*,6S*)-1-(4-Methylphenylsulfonyl)-2,6-dimethyl-2-vinylazepane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25NO2S
InChI InChI=1S/C17H25NO2S/c1-5-17(4)12-6-7-15(3)13-18(17)21(19,20)16-10-8-14(2)9-11-16/h5,8-11,15H,1,6-7,12-13H2,2-4H3/t15-,17-/m0/s1
InChIKey XIOYLQCJKQUIPK-RDJZCZTQSA-N
Molecular Weight 307.452 g/mol
SMILES [C@@]1(N(S(c2ccc(cc2)C)(=O)=O)C[C@](CCC1)(C)[H])(C=C)C
SPLASH splash10-0pbc-9510000000-1ad803369054dc0c580c
Source of Spectrum KC-0-3392-54
Synonyms (2R,6S)-2,6-dimethyl-1-[(4-methylphenyl)sulfonyl]-2-vinylhexahydro-1H-azepine
Wiley ID 782801