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Acenaphtho[5,6-cd]thiopyran, 1,3-dihydro-, 2-oxide

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

Acenaphtho[5,6-cd]thiopyran, 1,3-dihydro-, 2-oxide
SpectraBase Compound ID 9NEBdNroQDu
InChI InChI=1S/C14H10OS/c15-16-7-11-5-3-9-1-2-10-4-6-12(8-16)14(11)13(9)10/h1-6H,7-8H2
InChIKey PHJQGLOVCXDYKD-UHFFFAOYSA-N
Mol Weight 226.29 g/mol
Molecular Formula C14H10OS
Exact Mass 226.045236 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 89egQbbpweB
Name Acenaphtho[5,6-cd]thiopyran, 1,3-dihydro-, 2-oxide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.045236115 u
Formula C14H10OS
InChI InChI=1S/C14H10OS/c15-16-7-11-5-3-9-1-2-10-4-6-12(8-16)14(11)13(9)10/h1-6H,7-8H2
InChIKey PHJQGLOVCXDYKD-UHFFFAOYSA-N
Molecular Weight 226.293 g/mol
SMILES C1S(=O)CC=2C3=C4C(=CC=C13)C=CC4=CC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944951