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3-Phenyl-1-(N-methoxycarbonylamino)methylenecyclobutane

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

3-Phenyl-1-(N-methoxycarbonylamino)methylenecyclobutane
SpectraBase Compound ID INV0w9x2D4f
InChI InChI=1S/C13H15NO2/c1-16-13(15)14-9-10-7-12(8-10)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H,14,15)/b10-9-
InChIKey DOOOQSPXBBAGCZ-KTKRTIGZSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EMnFcPoYN9e
Name 3-Phenyl-1-(N-methoxycarbonylamino)methylenecyclobutane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.110278725 u
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-16-13(15)14-9-10-7-12(8-10)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H,14,15)/b10-9-
InChIKey DOOOQSPXBBAGCZ-KTKRTIGZSA-N
Molecular Weight 217.268 g/mol
SMILES C(NC=C1CC(C1)C1=CC=CC=C1)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970309