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2-(1-Hydroxypropyl)-2-(1,3-pentadienyl)-1,3-dithiane
SpectraBase Compound ID 8n5rAtjD1mX
InChI InChI=1S/C12H20OS2/c1-3-5-6-8-12(11(13)4-2)14-9-7-10-15-12/h3,5-6,8,11,13H,4,7,9-10H2,1-2H3/b5-3+,8-6+
InChIKey XEBZDWURZBMYSC-QFXXITGJSA-N
Mol Weight 244.41 g/mol
Molecular Formula C12H20OS2
Exact Mass 244.095558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tlVV8ExoEd
Name 2-(1-Hydroxypropyl)-2-(1,3-pentadienyl)-1,3-dithiane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20OS2
InChI InChI=1S/C12H20OS2/c1-3-5-6-8-12(11(13)4-2)14-9-7-10-15-12/h3,5-6,8,11,13H,4,7,9-10H2,1-2H3/b5-3+,8-6+
InChIKey XEBZDWURZBMYSC-QFXXITGJSA-N
Molecular Weight 244.411 g/mol
SMILES OC(C1(SCCCS1)\C=C\C=C\C)CC
SPLASH splash10-000i-1900000000-ba5bf8ee4b40b161eadd
Source of Spectrum QA-39-435-10
Synonyms 1-{2-[(1E,3E)-1,3-pentadienyl]-1,3-dithian-2-yl}-1-propanol
Wiley ID 861468