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3-Phenyl-4-(1-pyrrolidinyl)cyclobut-3-ene-1,2-dione

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

3-Phenyl-4-(1-pyrrolidinyl)cyclobut-3-ene-1,2-dione
SpectraBase Compound ID J0tpj3on8G7
InChI InChI=1S/C14H13NO2/c16-13-11(10-6-2-1-3-7-10)12(14(13)17)15-8-4-5-9-15/h1-3,6-7H,4-5,8-9H2
InChIKey UQFYLZWRQFCUKV-UHFFFAOYSA-N
Mol Weight 227.26 g/mol
Molecular Formula C14H13NO2
Exact Mass 227.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5WwwXKUlAyE
Name 3-Phenyl-4-(1-pyrrolidinyl)cyclobut-3-ene-1,2-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.094628661 u
Formula C14H13NO2
InChI InChI=1S/C14H13NO2/c16-13-11(10-6-2-1-3-7-10)12(14(13)17)15-8-4-5-9-15/h1-3,6-7H,4-5,8-9H2
InChIKey UQFYLZWRQFCUKV-UHFFFAOYSA-N
Molecular Weight 227.263 g/mol
SMILES C1(C(C(=C1N1CCCC1)C=1C=CC=CC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919982