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Trans-6-allyl-1-methyl-4-nitromethylpiperidine-2-thione
SpectraBase Compound ID Hx8oMMvbWO4
InChI InChI=1S/C10H16N2O2S/c1-3-4-9-5-8(7-12(13)14)6-10(15)11(9)2/h3,8-9H,1,4-7H2,2H3/t8-,9-/m1/s1
InChIKey GDJMAKRBMJRGQY-RKDXNWHRSA-N
Mol Weight 228.31 g/mol
Molecular Formula C10H16N2O2S
Exact Mass 228.093249 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6l5L5inSNxq
Name Trans-6-allyl-1-methyl-4-nitromethylpiperidine-2-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.093248935 u
Formula C10H16N2O2S
InChI InChI=1S/C10H16N2O2S/c1-3-4-9-5-8(7-12(13)14)6-10(15)11(9)2/h3,8-9H,1,4-7H2,2H3/t8-,9-/m1/s1
InChIKey GDJMAKRBMJRGQY-RKDXNWHRSA-N
Molecular Weight 228.310 g/mol
SMILES C1(N([C@](CC=C)(C[C@](C1)(CN(=O)=O)[H])[H])C)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884266