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2-dodecylsulfanylpropylbenzene

View entire compound with spectra: 1 MS (GC)

2-dodecylsulfanylpropylbenzene
SpectraBase Compound ID 6bIkub2in8h
InChI InChI=1S/C21H36S/c1-3-4-5-6-7-8-9-10-11-15-18-22-20(2)19-21-16-13-12-14-17-21/h12-14,16-17,20H,3-11,15,18-19H2,1-2H3
InChIKey CJRNBIGZSNWQEO-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 KM6D1g3x7Fq
Name 2-dodecylsulfanylpropylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.253772333 u
Formula C21H36S
InChI InChI=1S/C21H36S/c1-3-4-5-6-7-8-9-10-11-15-18-22-20(2)19-21-16-13-12-14-17-21/h12-14,16-17,20H,3-11,15,18-19H2,1-2H3
InChIKey CJRNBIGZSNWQEO-UHFFFAOYSA-N
Instrument Name Thermo DSQII
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701692
Molecular Weight 320.579 g/mol
Quality 34
SMILES C(CCCCCCCCCCC)SC(C)CC1=CC=CC=C1
SPLASH splash10-0006-9160000000-d62c27b7d29f112b5844
Source of Spectrum K1-2018-733-4d (DOI: 10.1002/ejoc.201701692)
Wiley ID 1894445