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1,3-Di(anthracen-9-ylmethylsulfanyl)propane

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

1,3-Di(anthracen-9-ylmethylsulfanyl)propane
SpectraBase Compound ID G6phYqf0xoT
InChI InChI=1S/C33H28S2/c1-5-14-28-24(10-1)20-25-11-2-6-15-29(25)32(28)22-34-18-9-19-35-23-33-30-16-7-3-12-26(30)21-27-13-4-8-17-31(27)33/h1-8,10-17,20-21H,9,18-19,22-23H2
InChIKey MWFYGDCTSIOFAP-UHFFFAOYSA-N
Mol Weight 488.7 g/mol
Molecular Formula C33H28S2
Exact Mass 488.163243 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AFPbl83id1B
Name 1,3-di(Anthracen-9-ylmethylsulfanyl)propane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.163243250 u
Formula C33H28S2
InChI InChI=1S/C33H28S2/c1-5-14-28-24(10-1)20-25-11-2-6-15-29(25)32(28)22-34-18-9-19-35-23-33-30-16-7-3-12-26(30)21-27-13-4-8-17-31(27)33/h1-8,10-17,20-21H,9,18-19,22-23H2
InChIKey MWFYGDCTSIOFAP-UHFFFAOYSA-N
Molecular Weight 488.707 g/mol
SMILES C1(=C2C(C=CC=C2)=CC=2C1=CC=CC2)CSCCCSCC=1C=2C(=CC=CC2)C=C2C1C=CC=C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.84244