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1,3-Dithiane-2-methanol, 2-(1,3-dithian-2-ylidenemethyl)-.alpha.-phenyl-
SpectraBase Compound ID 2pH7eovA4Hu
InChI InChI=1S/C16H20OS4/c17-15(13-6-2-1-3-7-13)16(20-10-5-11-21-16)12-14-18-8-4-9-19-14/h1-3,6-7,12,15,17H,4-5,8-11H2
InChIKey HBLQCXHPNCPCCE-UHFFFAOYSA-N
Mol Weight 356.6 g/mol
Molecular Formula C16H20OS4
Exact Mass 356.0397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69JdnxIxumg
Name 1,3-Dithiane-2-methanol, 2-(1,3-dithian-2-ylidenemethyl)-.alpha.-phenyl-
CAS Registry Number 126085-45-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20OS4
InChI InChI=1S/C16H20OS4/c17-15(13-6-2-1-3-7-13)16(20-10-5-11-21-16)12-14-18-8-4-9-19-14/h1-3,6-7,12,15,17H,4-5,8-11H2
InChIKey HBLQCXHPNCPCCE-UHFFFAOYSA-N
Molecular Weight 356.575 g/mol
SMILES OC(C1(C=C2SCCCS2)SCCCS1)c1ccccc1
SPLASH splash10-0002-0090000000-0d54d745d44e6127430d
Source of Spectrum KC-1989-1796-10
Synonyms .alpha.phenyl-2-(1,3-dithian-2-ylidenemethyl)-1,3-dithian-2-methanol [2-(1,3-dithian-2-ylidenemethyl)-1,3-dithian-2-yl](phenyl)methanol
Wiley ID 1345572