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2-Naphthalenethiol, S-(2-methylpropionyl)-

View entire compound with spectra: 1 FTIR

2-Naphthalenethiol, S-(2-methylpropionyl)-
SpectraBase Compound ID 62LHo6BfkXr
InChI InChI=1S/C14H14OS/c1-10(2)14(15)16-13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3
InChIKey SBLMRKLDOSZEGL-UHFFFAOYSA-N
Mol Weight 230.32 g/mol
Molecular Formula C14H14OS
Exact Mass 230.076536 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Kxo9Rev4ZgU
Name 2-Naphthalenethiol, S-(2-methylpropionyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.076536244 u
Formula C14H14OS
InChI InChI=1S/C14H14OS/c1-10(2)14(15)16-13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3
InChIKey SBLMRKLDOSZEGL-UHFFFAOYSA-N
Molecular Weight 230.325 g/mol
SMILES C1(SC(C(C)C)=O)=CC2=C(C=C1)C=CC=C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.835719