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4-Methyl-4-tert-butyl-1-phenylthio-1-cyclobutene

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

4-Methyl-4-tert-butyl-1-phenylthio-1-cyclobutene
SpectraBase Compound ID 3LhES3Nq7BD
InChI InChI=1S/C15H20S/c1-14(2,3)15(4)11-10-13(15)16-12-8-6-5-7-9-12/h5-10H,11H2,1-4H3
InChIKey YGDRNSVANUYHKH-UHFFFAOYSA-N
Mol Weight 232.38 g/mol
Molecular Formula C15H20S
Exact Mass 232.128572 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2vrohVCXTTd
Name 4-Methyl-4-tert-butyl-1-phenylthio-1-cyclobutene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.128571818 u
Formula C15H20S
InChI InChI=1S/C15H20S/c1-14(2,3)15(4)11-10-13(15)16-12-8-6-5-7-9-12/h5-10H,11H2,1-4H3
InChIKey YGDRNSVANUYHKH-UHFFFAOYSA-N
Molecular Weight 232.385 g/mol
SMILES C=1(C(C(C)(C)C)(C)CC1)SC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905119