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(1S,2R)-(+)-Ephedrine hemihydrate

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

(1S,2R)-(+)-Ephedrine hemihydrate
SpectraBase Compound ID 6ZmqfYgf9cP
InChI InChI=1S/2C10H15NO.O/c2*1-8(11-2)10(12)9-6-4-3-5-7-9;/h2*3-8,10-12H,1-2H3;/t2*8-,10-;/m11./s1
InChIKey DFTJZGHIIZOJMX-LMDBBIMRSA-N
Mol Weight 346.47 g/mol
Molecular Formula C20H30N2O3
Exact Mass 346.225643 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GXvscvi6Vcx
Name (1S,2R)-(+)-Ephedrine hemihydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 316733
CAS Registry Number 144429-10-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30N2O3
InChI InChI=1S/2C10H15NO.O/c2*1-8(11-2)10(12)9-6-4-3-5-7-9;/h2*3-8,10-12H,1-2H3;/t2*8-,10-;/m11./s1
InChIKey DFTJZGHIIZOJMX-LMDBBIMRSA-N
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (1S,2R)-(+)-a-(1-Methylaminoethyl)benzyl alcohol
Wiley ID SIAL_13CNMR_006302