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2,2-(2-Adamantyl)benzo[d][1,3]dithiole
SpectraBase Compound ID IkaBR9WA2oY
InChI InChI=1S/C16H18S2/c1-2-4-15-14(3-1)17-16(18-15)12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13H,5-9H2
InChIKey QHHFFDRSFPNTEU-UHFFFAOYSA-N
Mol Weight 274.44 g/mol
Molecular Formula C16H18S2
Exact Mass 274.084993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6A8WZGhUlP
Name 2,2-(2-Adamantyl)benzo[d][1,3]dithiole
Alternate Name(s) (1r,3r)-spiro[adamantane-2,2'-benzo[d][1,3]dithiole]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18S2
InChI InChI=1S/C16H18S2/c1-2-4-15-14(3-1)17-16(18-15)12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13H,5-9H2
InChIKey QHHFFDRSFPNTEU-UHFFFAOYSA-N
Molecular Weight 274.440 g/mol
SMILES C12(Sc3ccccc3S2)C2CC3CC(C2)CC1C3
SPLASH splash10-0uk9-1970000000-582ecd239748e7b4321e
Source of Spectrum AT-54-1518-18
Wiley ID 1736513