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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPARjnl8BTg
Name 3-phenyl-4-(1-pyrrolidinyl)cyclobut-3-ene-1,2-dione
Alternate Name(s) 3-phenyl-4-pyrrolidin-1-yl-cyclobut-3-ene-1,2-dione 3-phenyl-4-pyrrolidino-cyclobut-3-ene-1,2-quinone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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)c1ccccc1)=O)=O
SPLASH splash10-00di-0900000000-65d1e0b158ae354ba49c
Source of Spectrum K-2001-69-14
Wiley ID 1578314