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(Z)-3-Methylpent-3-en-1-yl 4-methylbenzenesulfonate
SpectraBase Compound ID 5ZM1GF4I5nq
InChI InChI=1S/C13H18O3S/c1-4-11(2)9-10-16-17(14,15)13-7-5-12(3)6-8-13/h4-8H,9-10H2,1-3H3/b11-4-
InChIKey DWHIFETXERXFCH-WCIBSUBMSA-N
Mol Weight 254.34 g/mol
Molecular Formula C13H18O3S
Exact Mass 254.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLNd1L3o2Lk
Name (Z)-3-Methylpent-3-en-1-yl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3S
InChI InChI=1S/C13H18O3S/c1-4-11(2)9-10-16-17(14,15)13-7-5-12(3)6-8-13/h4-8H,9-10H2,1-3H3/b11-4-
InChIKey DWHIFETXERXFCH-WCIBSUBMSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/chem.201905827
Molecular Weight 254.344 g/mol
SMILES c1(ccc(cc1)C)S(OCC\C(=C/C)C)(=O)=O
SPLASH splash10-00lu-9000000000-a88acc0ba1d24c55d834
Source of Spectrum QE-26-SM2-Page no SM2, R1C1
Thin-Layer Chromatography Rf = 0.28 (Pentane/Et2O, 5/1)
Wiley ID 1858520