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.beta.-Diethylaminoethyl cyclohexylthiol-carbamate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

.beta.-Diethylaminoethyl cyclohexylthiol-carbamate
SpectraBase Compound ID IpE7evpTrwg
InChI InChI=1S/C13H26N2OS/c1-3-15(4-2)10-11-17-13(16)14-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,14,16)
InChIKey UMDBGDHSBQGNCP-UHFFFAOYSA-N
Mol Weight 258.42 g/mol
Molecular Formula C13H26N2OS
Exact Mass 258.176585 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ASg0Asdml7x
Name .beta.-Diethylaminoethyl cyclohexylthiol-carbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.176584638 u
Formula C13H26N2OS
InChI InChI=1S/C13H26N2OS/c1-3-15(4-2)10-11-17-13(16)14-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,14,16)
InChIKey UMDBGDHSBQGNCP-UHFFFAOYSA-N
Molecular Weight 258.424 g/mol
SMILES C(NC1CCCCC1)(=O)SCCN(CC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855859