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4-TERT.-BUTYLTHIAN

View entire compound with spectra: 3 NMR, and 1 MS (GC)

4-TERT.-BUTYLTHIAN
SpectraBase Compound ID 8g4a7FPUHRR
InChI InChI=1S/C9H18S/c1-9(2,3)8-4-6-10-7-5-8/h8H,4-7H2,1-3H3
InChIKey XOPHRBMUUMFZOU-UHFFFAOYSA-N
Mol Weight 158.3 g/mol
Molecular Formula C9H18S
Exact Mass 158.112922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GjlwxWSqfmK
Name 4-tert-BUTYLTETRAHYDRO-2H-THIOPYRAN
Source of Sample R. L. Willer, E. L. Eliel J. Amer. Chem. Soc. 99, 1925(1977)
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18S
InChI InChI=1S/C9H18S/c1-9(2,3)8-4-6-10-7-5-8/h8H,4-7H2,1-3H3
InChIKey XOPHRBMUUMFZOU-UHFFFAOYSA-N
Molecular Weight 158.31
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Varian XL-100
Synonyms 2H-THIOPYRAN, 4-tert-BUTYLTETRAHYDRO-,