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(E)-6,6-Dimethyl-4-tosyl-3-hepten-1,5-diol
SpectraBase Compound ID 8g4GRgwpaxj
InChI InChI=1S/C16H24O4S/c1-12-7-9-13(10-8-12)21(19,20)14(6-5-11-17)15(18)16(2,3)4/h6-10,15,17-18H,5,11H2,1-4H3/b14-6+
InChIKey BLNQFJHYFXNXGX-MKMNVTDBSA-N
Mol Weight 312.42 g/mol
Molecular Formula C16H24O4S
Exact Mass 312.13953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cj0N6sFjiu5
Name (E)-6,6-Dimethyl-4-tosyl-3-hepten-1,5-diol
Alternate Name(s) (3E)-6,6-dimethyl-4-[(4-methylphenyl)sulfonyl]-3-heptene-1,5-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O4S
InChI InChI=1S/C16H24O4S/c1-12-7-9-13(10-8-12)21(19,20)14(6-5-11-17)15(18)16(2,3)4/h6-10,15,17-18H,5,11H2,1-4H3/b14-6+
InChIKey BLNQFJHYFXNXGX-MKMNVTDBSA-N
Molecular Weight 312.424 g/mol
SMILES OC(\C(=C/CCO)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C
SPLASH splash10-0k96-9620000000-7e563e51f2e1ca332531
Source of Spectrum F-53-11456-5
Wiley ID 803501