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(E)-1-(Benzenesulfonyl)-2-butyl-6-methoxyhex-1-en-3-yne
SpectraBase Compound ID 51DHUMeve6k
InChI InChI=1S/C17H22O3S/c1-3-4-10-16(11-8-9-14-20-2)15-21(18,19)17-12-6-5-7-13-17/h5-7,12-13,15H,3-4,9-10,14H2,1-2H3/b16-15+
InChIKey IOZQJTIUIBAYBI-FOCLMDBBSA-N
Mol Weight 306.42 g/mol
Molecular Formula C17H22O3S
Exact Mass 306.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BSybFPBGFwk
Name (E)-1-(Benzenesulfonyl)-2-butyl-6-methoxyhex-1-en-3-yne
Alternate Name(s) [(E)-2-butyl-6-methoxyhex-1-en-3-ynyl]sulfonylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O3S
InChI InChI=1S/C17H22O3S/c1-3-4-10-16(11-8-9-14-20-2)15-21(18,19)17-12-6-5-7-13-17/h5-7,12-13,15H,3-4,9-10,14H2,1-2H3/b16-15+
InChIKey IOZQJTIUIBAYBI-FOCLMDBBSA-N
Molecular Weight 306.420 g/mol
SMILES C(\C(=C\S(=O)(=O)c1ccccc1)CCCC)#CCCOC
SPLASH splash10-002f-9210000000-08d293fcce91c4a916d5
Source of Spectrum U1-2012-834-3d
Wiley ID 1705465