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(3aR,4aR,8aS)-7,7-Dimethyloctahydro-6H-spiro{cyclopenta[1,4]cyclobuta[1,2]benzene-5,2'-[1,3]dithiane}
SpectraBase Compound ID KO3pF6zITTZ
InChI InChI=1S/C16H26S2/c1-14(2)10-15-6-3-5-12(15)9-13(15)16(11-14)17-7-4-8-18-16/h12-13H,3-11H2,1-2H3/t12-,13-,15+/m1/s1
InChIKey FJQNRKWGWICQGI-NFAWXSAZSA-N
Mol Weight 282.5 g/mol
Molecular Formula C16H26S2
Exact Mass 282.147593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WKA3HWNscI
Name (3aR,4aR,8aS)-7,7-Dimethyloctahydro-6H-spiro{cyclopenta[1,4]cyclobuta[1,2]benzene-5,2'-[1,3]dithiane}
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.147593185 u
Formula C16H26S2
InChI InChI=1S/C16H26S2/c1-14(2)10-15-6-3-5-12(15)9-13(15)16(11-14)17-7-4-8-18-16/h12-13H,3-11H2,1-2H3/t12-,13-,15+/m1/s1
InChIKey FJQNRKWGWICQGI-NFAWXSAZSA-N
Instrument Name Agilent MS5977A MSD-Agilent 7890 B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201700837
Quality 132
SMILES C1CCSC2(S1)[C@]1([C@@]3(CC(C2)(C)C)[C@@](C1)(CCC3)[H])[H]
SPLASH splash10-0pb9-0590000000-8282a8f8a5ed4f02d56a
Source of Spectrum ACI-56-SM38-2b (DOI: 10.1002/anie.201700837)
Thin-Layer Chromatography 0.19 (P/Et2O, 99:1) [KMnO4]
Wiley ID 1895694