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3,3,Dideutero-4-methyldodecyl 4-methylbenzenesulfonate

View entire compound with spectra: 1 MS (GC)

3,3,Dideutero-4-methyldodecyl 4-methylbenzenesulfonate
SpectraBase Compound ID LNGpGuUCkGI
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/i12D2
InChIKey ZLHHTCPIRXBZBL-XUWBISKJSA-N
Mol Weight 356.6 g/mol
Molecular Formula C20H32D2O3S
Exact Mass 356.23542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 92HjkHoXIi1
Name 3,3,Dideutero-4-methyldodecyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32D2O3S
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/i12D2
InChIKey ZLHHTCPIRXBZBL-XUWBISKJSA-N
Molecular Weight 356.561 g/mol
SMILES Cc1ccc(cc1)S(=O)(=O)OCCC(C(C)CCCCCCCC)([D])[D]
SPLASH splash10-0abc-9300000000-24ee51cac563f9ab7aea
Wiley ID 1486341