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1,3-Dithia-2-((1-methyl-3-benzyloxy-2-hydroxypropyl)methylene)cyclohexane

View entire compound with spectra: 2 MS (GC)

1,3-Dithia-2-((1-methyl-3-benzyloxy-2-hydroxypropyl)methylene)cyclohexane
SpectraBase Compound ID 698EJ4hgXfB
InChI InChI=1S/C16H22O2S2/c1-13(10-16-19-8-5-9-20-16)15(17)12-18-11-14-6-3-2-4-7-14/h2-4,6-7,10,13,15,17H,5,8-9,11-12H2,1H3
InChIKey YXUGPGZJTAXPCU-UHFFFAOYSA-N
Mol Weight 310.47 g/mol
Molecular Formula C16H22O2S2
Exact Mass 310.106122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOFrKO6iYgB
Name 1,3-Dithia-2-((1-methyl-3-benzyloxy-2-hydroxypropyl)methylene)cyclohexane
CAS Registry Number 108534-71-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2S2
InChI InChI=1S/C16H22O2S2/c1-13(10-16-19-8-5-9-20-16)15(17)12-18-11-14-6-3-2-4-7-14/h2-4,6-7,10,13,15,17H,5,8-9,11-12H2,1H3
InChIKey YXUGPGZJTAXPCU-UHFFFAOYSA-N
Molecular Weight 310.470 g/mol
SMILES OC(C(C=C1SCCCS1)C)COCc1ccccc1
SPLASH splash10-08fr-1911000000-c547a77a892e7b7c0840
Source of Spectrum J-52-3164-5
Synonyms syn-1,3-dithia-2-((1-methyl-3-benzyloxy-2-hydroxypropyl)methylene)cyclohexane 1-(benzyloxy)-4-(1,3-dithian-2-ylidene)-3-methylbutan-2-ol
Wiley ID 1311378