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5-(5'-Methylhexa-3',5'-dienylsulfonyl)-1-phenyl-1H-tetrazole

View entire compound with spectra: 1 MS (GC)

5-(5'-Methylhexa-3',5'-dienylsulfonyl)-1-phenyl-1H-tetrazole
SpectraBase Compound ID 9mflZhQyR7t
InChI InChI=1S/C14H16N4O2S/c1-12(2)8-6-7-11-21(19,20)14-15-16-17-18(14)13-9-4-3-5-10-13/h3-6,8-10H,1,7,11H2,2H3/b8-6+
InChIKey KINCTPCJKSUESG-SOFGYWHQSA-N
Mol Weight 304.37 g/mol
Molecular Formula C14H16N4O2S
Exact Mass 304.099397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFPgAXin4a8
Name 5-(5'-Methylhexa-3',5'-dienylsulfonyl)-1-phenyl-1H-tetrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N4O2S
InChI InChI=1S/C14H16N4O2S/c1-12(2)8-6-7-11-21(19,20)14-15-16-17-18(14)13-9-4-3-5-10-13/h3-6,8-10H,1,7,11H2,2H3/b8-6+
InChIKey KINCTPCJKSUESG-SOFGYWHQSA-N
Molecular Weight 304.368 g/mol
SMILES c1([n](nnn1)-c1ccccc1)S(=O)(=O)CC\C=C\C(=C)C
SPLASH splash10-016u-9100000000-77a1402c45927973c07c
Source of Spectrum QE-15-4017-8
Synonyms 5-[(3E)-5-methylhexa-3,5-dienyl]sulfonyl-1-phenyltetrazole 5-[(3E)-5-methylhexa-3,5-dienyl]sulfonyl-1-phenyl-1,2,3,4-tetrazole
Wiley ID 1692767