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(rac)-8-isopropyl-10a-methyl-2,3,7a,8,9,10,10a,10b-octahydroazuleno[4,5-b][1,4]dithiine
SpectraBase Compound ID I4BhXV7rpiA
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/h4-6,11-13,15H,7-10H2,1-3H3
InChIKey IEAGMSQSGWPSTQ-UHFFFAOYSA-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 EenjTZMMS61
Name (rac)-8-isopropyl-10a-methyl-2,3,7a,8,9,10,10a,10b-octahydroazuleno[4,5-b][1,4]dithiine
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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/h4-6,11-13,15H,7-10H2,1-3H3
InChIKey IEAGMSQSGWPSTQ-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201803248
SMILES C1(CCC2(C1C=CC=C1C2SCCS1)C)C(C)C
SPLASH splash10-001i-0090000000-c5033c4de77f4057cb50
Sample Comments Minor 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 1906055