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1-hexamethyleneimineacetic acid, ester with 3,3-diphenyl-4-(2-hydroxyethyl)-1-isopropyl-2-pyrrolidinone
SpectraBase Compound ID JcgpHrrWNq7
InChI InChI=1S/C29H38N2O3/c1-23(2)31-21-26(17-20-34-27(32)22-30-18-11-3-4-12-19-30)29(28(31)33,24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-16,23,26H,3-4,11-12,17-22H2,1-2H3
InChIKey IGVPTXQFXZSQIO-UHFFFAOYSA-N
Mol Weight 462.6 g/mol
Molecular Formula C29H38N2O3
Exact Mass 462.288243 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6haP5qfoN7y
Name HEXAHYDRO-1H-AZEPINE-1-ACETIC ACID, ESTER WITH 3,3-DIPHENYL-4-(2-HYDROXYETHYL)-1-ISOPROPYL-2-PYRROLIDINONE
Source of Sample C. D. Lunsford, A. H. Robins Company, Inc. Richmond, Virginia
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38N2O3
InChI InChI=1S/C29H38N2O3/c1-23(2)31-21-26(17-20-34-27(32)22-30-18-11-3-4-12-19-30)29(28(31)33,24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-16,23,26H,3-4,11-12,17-22H2,1-2H3
InChIKey IGVPTXQFXZSQIO-UHFFFAOYSA-N
Melting Point 117-118C
Molecular Weight 462.64
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 1-HEXAMETHYLENEIMINEACETIC ACID, ESTER WITH 3,3-DIPHENYL-4-/2-HYDROXYETHYL/-1-ISOPROPYL-2-PYRROLIDINONE