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4-Tert-butylbenzyl mercaptan, S-trimethylacetyl-

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

4-Tert-butylbenzyl mercaptan, S-trimethylacetyl-
SpectraBase Compound ID JzfFxXhYpOk
InChI InChI=1S/C16H24OS/c1-15(2,3)13-9-7-12(8-10-13)11-18-14(17)16(4,5)6/h7-10H,11H2,1-6H3
InChIKey VOVYXFTZPHUVAI-UHFFFAOYSA-N
Mol Weight 264.43 g/mol
Molecular Formula C16H24OS
Exact Mass 264.154787 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7UhGIIIuR5W
Name 4-Tert-butylbenzyl mercaptan, S-trimethylacetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.154786566 u
Formula C16H24OS
InChI InChI=1S/C16H24OS/c1-15(2,3)13-9-7-12(8-10-13)11-18-14(17)16(4,5)6/h7-10H,11H2,1-6H3
InChIKey VOVYXFTZPHUVAI-UHFFFAOYSA-N
Molecular Weight 264.427 g/mol
SMILES C(SC(C(C)(C)C)=O)C1=CC=C(C=C1)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.856609