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1-[4-(pyrrolidinyl)-2-butynyl]-2-pyrrolidinone

View entire compound with spectra: 4 NMR, and 3 FTIR

1-[4-(pyrrolidinyl)-2-butynyl]-2-pyrrolidinone
SpectraBase Compound ID JXgM4cH8FTh
InChI InChI=1S/2C12H18N2O.3C4H4O4/c2*15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13;3*5-3(6)1-2-4(7)8/h2*1-2,5-11H2;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+
InChIKey WLYYOFJEBGHKEC-VQYXCCSOSA-N
Mol Weight 760.79 g/mol
Molecular Formula C36H48N4O14
Exact Mass 760.316702 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FQ2IYOEwKOj
Name 1-[4-(1-PYRROLIDINYL)-2-BUTYNYL]-2-PYRROLIDINONE, FUMARATE (2:3)
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18N2O 11/2C4H4O4
InChI InChI=1S/2C12H18N2O.3C4H4O4/c2*15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13;3*5-3(6)1-2-4(7)8/h2*1-2,5-11H2;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+
InChIKey WLYYOFJEBGHKEC-VQYXCCSOSA-N
Melting Point 102-105C
Molecular Weight 380.40
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms OXOTREMORINE, FUMARATE /2 TO 3/ 2-PYRROLIDINONE, 1-/4-/1-PYRROLIDINYL/-2-BUTYNYL/-, FUMARATE /2 TO 3/