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Dodecyl(1-phenylpropyl)sulfane
SpectraBase Compound ID 4RRarQ0zWRF
InChI InChI=1S/C21H36S/c1-3-5-6-7-8-9-10-11-12-16-19-22-21(4-2)20-17-14-13-15-18-20/h13-15,17-18,21H,3-12,16,19H2,1-2H3
InChIKey YQUHCCOOBOJXEB-UHFFFAOYSA-N
Mol Weight 320.6 g/mol
Molecular Formula C21H36S
Exact Mass 320.253772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JDgQJme8ZRe
Name Dodecyl(1-phenylpropyl)sulfane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.253772333 u
Formula C21H36S
InChI InChI=1S/C21H36S/c1-3-5-6-7-8-9-10-11-12-16-19-22-21(4-2)20-17-14-13-15-18-20/h13-15,17-18,21H,3-12,16,19H2,1-2H3
InChIKey YQUHCCOOBOJXEB-UHFFFAOYSA-N
Instrument Name Thermo DSQII
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701692
Molecular Weight 320.579 g/mol
Quality 77
SMILES CCC(C1=CC=CC=C1)SCCCCCCCCCCCC
SPLASH splash10-014i-3940000000-4272908480a9ae89330d
Source of Spectrum K1-2018-733-5d (DOI: 10.1002/ejoc.201701692)
Wiley ID 1894449