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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29fJe7qBox1
Name 1-[(N-(methoxycarbonyl)amino)methylene]-3-cyclohexene
Alternate Name(s) Methyl (E)-3-cyclohexen-1-ylidenemethylcarbamate
CAS Registry Number 112622-52-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 N(C(=O)OC)\C=C\1CC=CCC1
SPLASH splash10-00kf-9200000000-d1b9db5ddcd36aeb30dc
Source of Spectrum J-53-969-7
Wiley ID 1163643