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p-(Adamantyl-1)-ethylthiobenzene

View entire compound with spectra: 1 NMR, and 1 FTIR

p-(Adamantyl-1)-ethylthiobenzene
SpectraBase Compound ID CaLI9AyhyPa
InChI InChI=1S/C18H24S/c1-2-19-17-5-3-16(4-6-17)18-10-13-7-14(11-18)9-15(8-13)12-18/h3-6,13-15H,2,7-12H2,1H3/t13-,14+,15-,18-
InChIKey MHUDORTVLVQDOJ-OVMOHIIOSA-N
Mol Weight 272.45 g/mol
Molecular Formula C18H24S
Exact Mass 272.159872 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BnEW8x3TLCe
Name p-(Adamantyl-1)-ethylthiobenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.159871947 u
Formula C18H24S
InChI InChI=1S/C18H24S/c1-2-19-17-5-3-16(4-6-17)18-10-13-7-14(11-18)9-15(8-13)12-18/h3-6,13-15H,2,7-12H2,1H3/t13-,14+,15-,18-
InChIKey MHUDORTVLVQDOJ-OVMOHIIOSA-N
SMILES [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])C=1C=CC(=CC1)SCC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913067