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(N-Methoxycarbonylamino)benzylidenecyclobutane

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

(N-Methoxycarbonylamino)benzylidenecyclobutane
SpectraBase Compound ID KwV9s8iLfLp
InChI InChI=1S/C13H15NO2/c1-16-13(15)14-12-8-7-11(12)9-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3,(H,14,15)/b11-9+
InChIKey ILLWTZMVNHHHCF-PKNBQFBNSA-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 B7radAQ3nxp
Name (N-Methoxycarbonylamino)benzylidenecyclobutane
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)14-12-8-7-11(12)9-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3,(H,14,15)/b11-9+
InChIKey ILLWTZMVNHHHCF-PKNBQFBNSA-N
Molecular Weight 217.268 g/mol
SMILES C=1(\C=C\2C(NC(=O)OC)CC2)C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956744