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1,1-Dithiophenyl-4-deuterio-hexane

View entire compound with spectra: 1 MS (GC)

1,1-Dithiophenyl-4-deuterio-hexane
SpectraBase Compound ID IfBFXYT5eWL
InChI InChI=1S/C18H22S2/c1-2-3-6-15-18(19-16-11-7-4-8-12-16)20-17-13-9-5-10-14-17/h4-5,7-14,18H,2-3,6,15H2,1H3/i3D/t3-/m0/s1
InChIKey OTHOBYJYKFKEMY-JJVSXERASA-N
Mol Weight 303.5 g/mol
Molecular Formula C18H212DS2
Exact Mass 303.12257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DvJDfQ0gsn0
Name 1,1-Dithiophenyl-4-deuterio-hexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21DS2
InChI InChI=1S/C18H22S2/c1-2-3-6-15-18(19-16-11-7-4-8-12-16)20-17-13-9-5-10-14-17/h4-5,7-14,18H,2-3,6,15H2,1H3/i3D/t3-/m0/s1
InChIKey OTHOBYJYKFKEMY-JJVSXERASA-N
Molecular Weight 303.500 g/mol
SMILES C(Sc1ccccc1)(Sc1ccccc1)CC[C@](CC)([2D])[H]
SPLASH splash10-0pc3-7903000000-ffa68e9ac3121e754a11
Source of Spectrum C-128-11185-2a
Wiley ID 1701742