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2,3-Bis(3-phenylthiopropynyl)naphthalene
SpectraBase Compound ID FCzahsyxkNZ
InChI InChI=1S/C28H20S2/c1-3-15-27(16-4-1)29-19-9-13-25-21-23-11-7-8-12-24(23)22-26(25)14-10-20-30-28-17-5-2-6-18-28/h1-8,11-12,15-18,21-22H,19-20H2
InChIKey QDFQHGLCIMGQAX-UHFFFAOYSA-N
Mol Weight 420.59 g/mol
Molecular Formula C28H20S2
Exact Mass 420.100643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cukFl8MDh0
Name 2,3-Bis(3-phenylthiopropynyl)naphthalene
Comments Less than 3 mono-isotopic peaks
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Formula C28H20S2
InChI InChI=1S/C28H20S2/c1-3-15-27(16-4-1)29-19-9-13-25-21-23-11-7-8-12-24(23)22-26(25)14-10-20-30-28-17-5-2-6-18-28/h1-8,11-12,15-18,21-22H,19-20H2
InChIKey QDFQHGLCIMGQAX-UHFFFAOYSA-N
Molecular Weight 420.588 g/mol
SMILES C(c1c(C#CCSc2ccccc2)cc2c(c1)cccc2)#CCSc1ccccc1
SPLASH splash10-03di-0009200000-eaa91e3ef5eafb83ffa5
Source of Spectrum QA-45-788-31
Synonyms 2,3-bis[3-(phenylsulfanyl)-1-propynyl]naphthalene
Wiley ID 863006