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1-[(N-(methoxycarbonyl)amino)methylene]-3-cyclohexene

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

1-[(N-(methoxycarbonyl)amino)methylene]-3-cyclohexene
SpectraBase Compound ID 4qGSPUuCqNs
InChI InChI=1S/C9H13NO2/c1-12-9(11)10-7-8-5-3-2-4-6-8/h2-3,7H,4-6H2,1H3,(H,10,11)/b8-7-
InChIKey DMEZQLJHHKWMSG-FPLPWBNLSA-N
Mol Weight 167.21 g/mol
Molecular Formula C9H13NO2
Exact Mass 167.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8kj8SViEqqK
Name 1-[(N-(Methoxycarbonyl)amino)methylene]-3-cyclohexene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 167.094628661 u
Formula C9H13NO2
InChI InChI=1S/C9H13NO2/c1-12-9(11)10-7-8-5-3-2-4-6-8/h2-3,7H,4-6H2,1H3,(H,10,11)/b8-7-
InChIKey DMEZQLJHHKWMSG-FPLPWBNLSA-N
Molecular Weight 167.208 g/mol
SMILES C(N\C=C\1CC=CCC1)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.827798