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ISOTHIOCYANIC ACID, tert-BUTYL ESTER

View entire compound with spectra: 7 NMR, 3 FTIR, and 10 MS (GC)

ISOTHIOCYANIC ACID, tert-BUTYL ESTER
SpectraBase Compound ID HBcWBptb0oJ
InChI InChI=1S/C5H9NS/c1-5(2,3)6-4-7/h1-3H3
InChIKey ZFWFRTVIIMTOLY-UHFFFAOYSA-N
Mol Weight 115.19 g/mol
Molecular Formula C5H9NS
Exact Mass 115.04557 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID yK9gtPOytS
Name tert-Butyl isothiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 251852
CAS Registry Number 590-42-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H9NS
InChI InChI=1S/C5H9NS/c1-5(2,3)6-4-7/h1-3H3
InChIKey ZFWFRTVIIMTOLY-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_004345