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N-{1-[2-(2-methylindol-3-yl)ethyl]-4-piperidyl}acetamide, trihydrate
SpectraBase Compound ID 2GB384XA7xx
InChI InChI=1S/C18H25N3O.3H2O/c1-13-16(17-5-3-4-6-18(17)19-13)9-12-21-10-7-15(8-11-21)20-14(2)22;;;/h3-6,15,19H,7-12H2,1-2H3,(H,20,22);3*1H2
InChIKey BOYJAJXQIZTDAW-UHFFFAOYSA-N
Mol Weight 353.463 g/mol
Molecular Formula C18H31N3O4
Exact Mass 353.231456 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5barhQQofSN
Name N-{1-[2-(2-METHYLINDOL-3-YL)ETHYL]-4-PIPERIDYL}ACETAMIDE, TRIHYDRATE
Source of Sample J. L. Archibald, John Wyeth & Brother Ltd., Berkshire, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25N3O 3H2O
InChI InChI=1S/C18H25N3O.3H2O/c1-13-16(17-5-3-4-6-18(17)19-13)9-12-21-10-7-15(8-11-21)20-14(2)22;;;/h3-6,15,19H,7-12H2,1-2H3,(H,20,22);3*1H2
InChIKey BOYJAJXQIZTDAW-UHFFFAOYSA-N
Melting Point 83-85C
Molecular Weight 353.47
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PIPERIDINE, 4-ACETAMIDO- 1-/2-/2-METHYLINDOL-3-YL/ETHYL/-, TRIHYDRATE ACETAMIDE, N-/1-/2-/2-METHYLINDOL- 3-YL/ETHYL/-4-PIPERIDYL/-, TRIHYDRATE