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Cyproheptadine hydrochloride sesquihydrate

View entire compound with spectra: 2 NMR, and 1 FTIR

Cyproheptadine hydrochloride sesquihydrate
SpectraBase Compound ID DWO5Qww4uEi
InChI InChI=1S/2C21H21N.2Cl.3O/c2*1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;;;;;/h2*2-11H,12-15H2,1H3;;;;;
InChIKey JVNVCOPULJUQPJ-UHFFFAOYSA-N
Mol Weight 693.715 g/mol
Molecular Formula C42H42Cl2N2O3
Exact Mass 692.257249 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2EwFi0xrTce
Name Cyproheptadine hydrochloride sesquihydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 279072
CAS Registry Number 41354-29-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H42Cl2N2O3
InChI InChI=1S/2C21H21N.2Cl.3O/c2*1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;;;;;/h2*2-11H,12-15H2,1H3;;;;;
InChIKey JVNVCOPULJUQPJ-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-piperidine hydrochloride hydrate
Wiley ID SIAL_13CNMR_005162