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(3aS,4aR,8aR)-2,2-Dimethyloctahydro-6H-spiro{cyclopenta[1,4]cyclobuta[1,2]benzene-5,2'-[1,3]dithiane}
SpectraBase Compound ID Ej40pK2hGKq
InChI InChI=1S/C16H26S2/c1-14(2)10-12-9-13-15(12,11-14)5-3-6-16(13)17-7-4-8-18-16/h12-13H,3-11H2,1-2H3/t12-,13+,15+/m0/s1
InChIKey RZMVPZDKQCTJGF-GZBFAFLISA-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 5p9DGsgUEyc
Name (3aS,4aR,8aR)-2,2-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)10-12-9-13-15(12,11-14)5-3-6-16(13)17-7-4-8-18-16/h12-13H,3-11H2,1-2H3/t12-,13+,15+/m0/s1
InChIKey RZMVPZDKQCTJGF-GZBFAFLISA-N
Instrument Name Agilent MS5977A MSD-Agilent 7890 B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201700837
Quality 150
SMILES C1CCSC2(S1)[C@]1([C@@]3(CCC2)[C@@](C1)(CC(C3)(C)C)[H])[H]
SPLASH splash10-0a59-0590000000-46cd7d5d5dd3396fffec
Source of Spectrum ACI-56-SM40-2c (DOI: 10.1002/anie.201700837)
Thin-Layer Chromatography 0.43 (P/Et2O, 98:2) [KMnO4]
Wiley ID 1895695