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3,3-Bis(methylsulfanyl)-2-(2-naphthoyl)acrylaldehyde

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

3,3-Bis(methylsulfanyl)-2-(2-naphthoyl)acrylaldehyde
SpectraBase Compound ID AYKvZn4S0Qk
InChI InChI=1S/C16H14O2S2/c1-19-16(20-2)14(10-17)15(18)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3
InChIKey NKKVLAHDOWRTEF-UHFFFAOYSA-N
Mol Weight 302.41 g/mol
Molecular Formula C16H14O2S2
Exact Mass 302.043522 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JWg1KRZqcHI
Name 3,3-bis(Methylsulfanyl)-2-(2-naphthoyl)acrylaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.043522037 u
Formula C16H14O2S2
InChI InChI=1S/C16H14O2S2/c1-19-16(20-2)14(10-17)15(18)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3
InChIKey NKKVLAHDOWRTEF-UHFFFAOYSA-N
SMILES C(C(C=1C=C2C=CC=CC2=CC1)=O)(=C(SC)SC)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.841133