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3-(methylthio)-N-propan-2-yl-1-cyclohex-2-enecarboxamide

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

3-(methylthio)-N-propan-2-yl-1-cyclohex-2-enecarboxamide
SpectraBase Compound ID 8adQijfLi9h
InChI InChI=1S/C11H19NOS/c1-8(2)12-11(13)9-5-4-6-10(7-9)14-3/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKey SSBVKGYOQYPQRO-UHFFFAOYSA-N
Mol Weight 213.34 g/mol
Molecular Formula C11H19NOS
Exact Mass 213.118735 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7uvybqIIiMS
Name 3-(Methylthio)-N-propan-2-yl-1-cyclohex-2-enecarboxamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 213.118735409 u
Formula C11H19NOS
InChI InChI=1S/C11H19NOS/c1-8(2)12-11(13)9-5-4-6-10(7-9)14-3/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKey SSBVKGYOQYPQRO-UHFFFAOYSA-N
Molecular Weight 213.339 g/mol
SMILES C(NC(C)C)(C1C=C(SC)CCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.830742