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1,8,16,16-Tetramethyl-15-thia-tetracyclo(6.6.2.0/2,7/.0/9,14/)hexadeca-2,4,6,9,11,13-hexaene

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1,8,16,16-Tetramethyl-15-thia-tetracyclo(6.6.2.0/2,7/.0/9,14/)hexadeca-2,4,6,9,11,13-hexaene
SpectraBase Compound ID AR2oVbTYLYh
InChI InChI=1S/C19H20S/c1-17(2)18(3)13-9-5-7-11-15(13)19(4,20-17)16-12-8-6-10-14(16)18/h5-12H,1-4H3/t18-,19+
InChIKey VGCWLTKMVVWYAO-KDURUIRLSA-N
Mol Weight 280.43 g/mol
Molecular Formula C19H20S
Exact Mass 280.128572 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AbIyjOWf9Dr
Name 10,9-(Epithiomethano)anthracene, 9,10-dihydro-9,10,12,12-tetramethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.128571818 u
Formula C19H20S
InChI InChI=1S/C19H20S/c1-17(2)18(3)13-9-5-7-11-15(13)19(4,20-17)16-12-8-6-10-14(16)18/h5-12H,1-4H3/t18-,19+
InChIKey VGCWLTKMVVWYAO-KDURUIRLSA-N
SMILES [C@]12(SC(C)(C)[C@@](C=3C2=CC=CC3)(C)C2=C1C=CC=C2)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950645