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

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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 29GfYMlQ5gH
Name Oxotremorine sesquifumarate salt
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 108324
CAS Registry Number 17360-35-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H48N4O14
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
Observed nucleus 13C
Purity 98%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1-(4-[1-Pyrrolidinyl]-2-butynyl)-2-pyrrolidinone 1-(4-[1-Pyrrolidinyl]2-butynyl)-2-pyrrolidinone
Wiley ID SIAL_13CNMR_000203