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9,10-Anthracenedimethanethiol

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

9,10-Anthracenedimethanethiol
SpectraBase Compound ID Ht80pTGnJCu
InChI InChI=1S/C16H14S2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8,17-18H,9-10H2
InChIKey QULSCWWJJFURRB-UHFFFAOYSA-N
Mol Weight 270.41 g/mol
Molecular Formula C16H14S2
Exact Mass 270.053693 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J48GnsNRwq2
Name 9,10-Anthracenedimethanethiol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.053692799 u
Formula C16H14S2
InChI InChI=1S/C16H14S2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8,17-18H,9-10H2
InChIKey QULSCWWJJFURRB-UHFFFAOYSA-N
Molecular Weight 270.408 g/mol
SMILES C(S)C1=C2C=CC=CC2=C(C2=C1C=CC=C2)CS
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888256