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2-Cyclobuten-1-one, 4,4-dimethyl-3-piperidino-
SpectraBase Compound ID RMgR2sMeL0
InChI InChI=1S/C11H17NO/c1-11(2)9(8-10(11)13)12-6-4-3-5-7-12/h8H,3-7H2,1-2H3
InChIKey WOAJHBGJZWLAON-UHFFFAOYSA-N
Mol Weight 179.26 g/mol
Molecular Formula C11H17NO
Exact Mass 179.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjBasZjDhO
Name 2-Cyclobuten-1-one, 4,4-dimethyl-3-piperidino-
CAS Registry Number 21922-69-0
Comments Edited after expert review for CHCl3 contamination - Original record with SpectrumID 1718243 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO
InChI InChI=1S/C11H17NO/c1-11(2)9(8-10(11)13)12-6-4-3-5-7-12/h8H,3-7H2,1-2H3
InChIKey WOAJHBGJZWLAON-UHFFFAOYSA-N
Molecular Weight 179.263 g/mol
SMILES C1(C)(C)C(=CC1=O)N1CCCCC1
SPLASH splash10-0570-8900000000-3d73979d135c10fe914c
Source of Spectrum AD-0-565-0
Synonyms 4,4-Dimethyl-3-(1-piperidinyl)-1-cyclobut-2-enone 4,4-Dimethyl-3-(1-piperidyl)cyclobut-2-en-1-one 4,4-Dimethyl-3-piperidin-1-yl-cyclobut-2-en-1-one 1-Piperidino-4,4-dimethyl-1-cyclobuten-3-one 4,4-Dimethyl-3-piperidino-cyclobut-2-en-1-one 4,4-Dimethyl-3-(piperidin-1-yl)cyclobut-2-enone 4,4-Dimethyl-3-piperidin-1-ylcyclobut-2-en-1-one
Wiley ID 1821383