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N-tert-butyl-2-phenyl-1-cyclopropanecarbothioamide

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

N-tert-butyl-2-phenyl-1-cyclopropanecarbothioamide
SpectraBase Compound ID BPJRFZJDK0J
InChI InChI=1S/C14H19NS/c1-14(2,3)15-13(16)12-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,15,16)
InChIKey QICFSEZIEFSVCQ-UHFFFAOYSA-N
Mol Weight 233.37 g/mol
Molecular Formula C14H19NS
Exact Mass 233.123821 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ns6VC9HATu
Name N-Tert-butyl-2-phenyl-1-cyclopropanecarbothioamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.123820790 u
Formula C14H19NS
InChI InChI=1S/C14H19NS/c1-14(2,3)15-13(16)12-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,15,16)
InChIKey QICFSEZIEFSVCQ-UHFFFAOYSA-N
Molecular Weight 233.373 g/mol
SMILES C1(C(C2=CC=CC=C2)C1)C(NC(C)(C)C)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9012