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4-Tert-butylbenzenethiol, S-methoxycarbonyl-

View entire compound with spectra: 1 FTIR

4-Tert-butylbenzenethiol, S-methoxycarbonyl-
SpectraBase Compound ID I0aCyNO2G6D
InChI InChI=1S/C12H16O2S/c1-12(2,3)9-5-7-10(8-6-9)15-11(13)14-4/h5-8H,1-4H3
InChIKey RMOZSNWNBWQHIT-UHFFFAOYSA-N
Mol Weight 224.32 g/mol
Molecular Formula C12H16O2S
Exact Mass 224.087101 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L8iewbD3c8v
Name 4-Tert-butylbenzenethiol, S-methoxycarbonyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.087100927 u
Formula C12H16O2S
InChI InChI=1S/C12H16O2S/c1-12(2,3)9-5-7-10(8-6-9)15-11(13)14-4/h5-8H,1-4H3
InChIKey RMOZSNWNBWQHIT-UHFFFAOYSA-N
Molecular Weight 224.318 g/mol
SMILES C(C)(C)(C)C1=CC=C(C=C1)SC(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930219