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1-DODECANOL, 4-METHYL-, 4-METHYLBENZENESULFONATE

View entire compound with spectra: 4 MS (GC)

1-DODECANOL, 4-METHYL-, 4-METHYLBENZENESULFONATE
SpectraBase Compound ID LGPHAhfZYDj
InChI InChI=1S/C20H34O3S/c1-4-5-6-7-8-9-11-18(2)12-10-17-23-24(21,22)20-15-13-19(3)14-16-20/h13-16,18H,4-12,17H2,1-3H3
InChIKey ZLHHTCPIRXBZBL-UHFFFAOYSA-N
Mol Weight 354.5 g/mol
Molecular Formula C20H34O3S
Exact Mass 354.222866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hw5eEVRSD40
Name 1-DODECANOL, 4-METHYL-, 4-METHYLBENZENESULFONATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H34O3S
InChI InChI=1S/C20H34O3S/c1-4-5-6-7-8-9-11-18(2)12-10-17-23-24(21,22)20-15-13-19(3)14-16-20/h13-16,18H,4-12,17H2,1-3H3
InChIKey ZLHHTCPIRXBZBL-UHFFFAOYSA-N
Molecular Weight 354.2220
SMILES Cc1ccc(S(OCCCC(CCCCCCCC)C)(=O)=O)cc1
SPLASH splash10-0l6r-9500000000-cda62c0c7343811d40fe
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany