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rac-1,2,3,4,4a,9a-Hexahydro-1,4-methano-9H-thioxanthene
SpectraBase Compound ID 976evG3qbRz
InChI InChI=1S/C14H16S/c1-2-4-13-10(3-1)8-12-9-5-6-11(7-9)14(12)15-13/h1-4,9,11-12,14H,5-8H2
InChIKey AJPIQDDLYFLDGC-UHFFFAOYSA-N
Mol Weight 216.34 g/mol
Molecular Formula C14H16S
Exact Mass 216.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AEHjcpxgQk9
Name rac-1,2,3,4,4a,9a-Hexahydro-1,4-methano-9H-thioxanthene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16S
InChI InChI=1S/C14H16S/c1-2-4-13-10(3-1)8-12-9-5-6-11(7-9)14(12)15-13/h1-4,9,11-12,14H,5-8H2
InChIKey AJPIQDDLYFLDGC-UHFFFAOYSA-N
Molecular Weight 216.342 g/mol
SMILES C1C2C3CCC(C2Sc2ccccc12)C3
SPLASH splash10-0002-0940000000-31a1b8548dcae2055c02
Source of Spectrum Y-49-518-6
Wiley ID 1716710