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(1S,2S,RS)-N-tert-Butanesulfinyl-2-methyl-1-(4-methylphenyl)but-3-en-1-amine
SpectraBase Compound ID 4oaBvIZCgEe
InChI InChI=1S/C16H25NOS/c1-7-13(3)15(17-19(18)16(4,5)6)14-10-8-12(2)9-11-14/h7-11,13,15,17H,1H2,2-6H3/t13-,15-,19?/m0/s1
InChIKey XEIUZTLEQZUGLH-MEFJIFBHSA-N
Mol Weight 279.44 g/mol
Molecular Formula C16H25NOS
Exact Mass 279.165686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7djykZZqtx7
Name (1S,2S,RS)-N-tert-Butanesulfinyl-2-methyl-1-(4-methylphenyl)but-3-en-1-amine
Alternate Name(s) (R)-2-methyl-N-((1S,2S)-2-methyl-1-(p-tolyl)but-3-en-1-yl)propane-2-sulfinamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25NOS
InChI InChI=1S/C16H25NOS/c1-7-13(3)15(17-19(18)16(4,5)6)14-10-8-12(2)9-11-14/h7-11,13,15,17H,1H2,2-6H3/t13-,15-,19?/m0/s1
InChIKey XEIUZTLEQZUGLH-MEFJIFBHSA-N
Literature Reference DOI 10.1039/c4cc02317j
Molecular Weight 279.442 g/mol
SMILES N([C@](c1ccc(cc1)C)([C@](C=C)(C)[H])[H])[S@@](C(C)(C)C)=O
SPLASH splash10-014i-0900000000-99125753c37eeb7962bf
Source of Spectrum KD-50-6898/SM10-3r
Wiley ID 1754694