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4-phenylisonipecotic acid, propyl ester, hydrochloride, hydrate

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4-phenylisonipecotic acid, propyl ester, hydrochloride, hydrate
SpectraBase Compound ID 7N8887ZySuO
InChI InChI=1S/C15H21NO2.ClH.H2O/c1-2-12-18-14(17)15(8-10-16-11-9-15)13-6-4-3-5-7-13;;/h3-7,16H,2,8-12H2,1H3;1H;1H2
InChIKey GTJLSSVPELPXCA-UHFFFAOYSA-N
Mol Weight 301.81 g/mol
Molecular Formula C15H24ClNO3
Exact Mass 301.144471 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DRErqBEUwGF
Name 4-PHENYLISONIPECOTIC ACID, PROPYL ESTER, HYDROCHLORIDE, HYDRATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO2 HCl H2O
InChI InChI=1S/C15H21NO2.ClH.H2O/c1-2-12-18-14(17)15(8-10-16-11-9-15)13-6-4-3-5-7-13;;/h3-7,16H,2,8-12H2,1H3;1H;1H2
InChIKey GTJLSSVPELPXCA-UHFFFAOYSA-N
Molecular Weight 301.82
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ISONIPECOTIC ACID, 4-PHENYL-, PROPYL ESTER, HYDROCHLORIDE, HYDRATE