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1-(4-Chlorophenyl)-3-(cyclohex-1-en-1-yl)pyrrolidine-2,5-dione
SpectraBase Compound ID CKtiXRUY8IZ
InChI InChI=1S/C16H16ClNO2/c17-12-6-8-13(9-7-12)18-15(19)10-14(16(18)20)11-4-2-1-3-5-11/h4,6-9,14H,1-3,5,10H2
InChIKey VNBDKIQHBRMGDS-UHFFFAOYSA-N
Mol Weight 289.76 g/mol
Molecular Formula C16H16ClNO2
Exact Mass 289.086956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cmyYOwgQct
Name 1-(4-Chlorophenyl)-3-(cyclohex-1-en-1-yl)pyrrolidine-2,5-dione
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.086956457 u
Formula C16H16ClNO2
InChI InChI=1S/C16H16ClNO2/c17-12-6-8-13(9-7-12)18-15(19)10-14(16(18)20)11-4-2-1-3-5-11/h4,6-9,14H,1-3,5,10H2
InChIKey VNBDKIQHBRMGDS-UHFFFAOYSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/chem.201703680
Quality 140
Reported Formula C16H16(35)ClNO2
SMILES C1(Cl)=CC=C(C=C1)N1C(C(CC1=O)C1=CCCCC1)=O
SPLASH splash10-0a6u-8390000000-bc2b2c72e6965393a926
Source of Spectrum QE-23-SM52-6dc (DOI: 10.1002/chem.201703680)
Wiley ID 1906031