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(rac)-(7aS,8S,10aR)-8-isopropyl-10a-methyl-2,3,5,7a,8,9,10,10a-octahydroazuleno[4,5-b][1,4]dithiine
SpectraBase Compound ID BUtylxHT5R3
InChI InChI=1S/C16H24S2/c1-11(2)12-7-8-16(3)13(12)5-4-6-14-15(16)18-10-9-17-14/h4-5,11-13H,6-10H2,1-3H3/t12-,13-,16+/m0/s1
InChIKey TZTUADKBRHMDPR-HEHGZKQESA-N
Mol Weight 280.49 g/mol
Molecular Formula C16H24S2
Exact Mass 280.131943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J8qWUyUmWGa
Name (rac)-(7aS,8S,10aR)-8-isopropyl-10a-methyl-2,3,5,7a,8,9,10,10a-octahydroazuleno[4,5-b][1,4]dithiine
Appearance Yellow oil
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Exact Mass 280.131943121 u
Formula C16H24S2
InChI InChI=1S/C16H24S2/c1-11(2)12-7-8-16(3)13(12)5-4-6-14-15(16)18-10-9-17-14/h4-5,11-13H,6-10H2,1-3H3/t12-,13-,16+/m0/s1
InChIKey TZTUADKBRHMDPR-HEHGZKQESA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201803248
SMILES [C@@]1(CC[C@@]2([C@]1(C=CCC1=C2SCCS1)[H])C)(C(C)C)[H]
SPLASH splash10-001i-0090000000-5396b9169d62151136cb
Sample Comments Major diastereomer, dr = 10:2:1
Source of Spectrum QE-24-SM8-9 (DOI: 10.1002/chem.201803248)
Thin-Layer Chromatography 0.88 (ethyl acetate/petroleum ether, 10%)
Wiley ID 1906056