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4-Tert-butylbenzenethiol, S-(N-propyloxycarbonyl)-

View entire compound with spectra: 1 NMR, and 1 FTIR

4-Tert-butylbenzenethiol, S-(N-propyloxycarbonyl)-
SpectraBase Compound ID zwvNdupYk
InChI InChI=1S/C14H20O2S/c1-5-10-16-13(15)17-12-8-6-11(7-9-12)14(2,3)4/h6-9H,5,10H2,1-4H3
InChIKey BNXMUEKJGYREBO-UHFFFAOYSA-N
Mol Weight 252.37 g/mol
Molecular Formula C14H20O2S
Exact Mass 252.118401 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KS0Nq40g3iD
Name 4-Tert-butylbenzenethiol, S-(N-propyloxycarbonyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.118401056 u
Formula C14H20O2S
InChI InChI=1S/C14H20O2S/c1-5-10-16-13(15)17-12-8-6-11(7-9-12)14(2,3)4/h6-9H,5,10H2,1-4H3
InChIKey BNXMUEKJGYREBO-UHFFFAOYSA-N
Molecular Weight 252.372 g/mol
SMILES C(C)(C)(C)C1=CC=C(C=C1)SC(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909291