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2,4,6-tri-Tert-butylbenzenethiol

View entire compound with spectra: 1 FTIR, 1 Raman, and 2 MS (GC)

2,4,6-tri-Tert-butylbenzenethiol
SpectraBase Compound ID EdQbUzJbG8Z
InChI InChI=1S/C18H30S/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3
InChIKey USBODICZKVQDMW-UHFFFAOYSA-N
Mol Weight 278.5 g/mol
Molecular Formula C18H30S
Exact Mass 278.206822 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID GZnjD1CGOtC
Name 2,4,6-tri-Tert-butylbenzenethiol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.206822140 u
Formula C18H30S
InChI InChI=1S/C18H30S/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3
InChIKey USBODICZKVQDMW-UHFFFAOYSA-N
Molecular Weight 278.498 g/mol
SMILES SC=1C(=CC(=CC1C(C)(C)C)C(C)(C)C)C(C)(C)C
Spectrum/Structure Validation Score (Raman) 0.981894