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3-Allyl-2-(chloromethyl)-3-tosyl-1,5-hexadiene
SpectraBase Compound ID FMLOf8lCVwf
InChI InChI=1S/C17H21ClO2S/c1-5-11-17(12-6-2,15(4)13-18)21(19,20)16-9-7-14(3)8-10-16/h5-10H,1-2,4,11-13H2,3H3
InChIKey BDDWNDXQXLAJQK-UHFFFAOYSA-N
Mol Weight 324.87 g/mol
Molecular Formula C17H21ClO2S
Exact Mass 324.095079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2l8gWDZd0U4
Name 3-Allyl-2-(chloromethyl)-3-tosyl-1,5-hexadiene
Alternate Name(s) 1-({1-allyl-1-[1-(chloromethyl)vinyl]-3-butenyl}sulfonyl)-4-methylbenzene 1-Allyl-1-[1-(chloromethyl)vinyl]-3-butenyl 4-methylphenyl sulfone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21ClO2S
InChI InChI=1S/C17H21ClO2S/c1-5-11-17(12-6-2,15(4)13-18)21(19,20)16-9-7-14(3)8-10-16/h5-10H,1-2,4,11-13H2,3H3
InChIKey BDDWNDXQXLAJQK-UHFFFAOYSA-N
Molecular Weight 324.866 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C(=C)CCl)(CC=C)CC=C
SPLASH splash10-002f-9300000000-f31ab3efabaec1e80998
Source of Spectrum F-50-3499-4
Wiley ID 1323084