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Tetrabenazine

View entire compound with spectra: 2 NMR, and 10 MS (GC)

Tetrabenazine
SpectraBase Compound ID Ip47ZPlTufa
InChI InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
InChIKey MKJIEFSOBYUXJB-UHFFFAOYSA-N
Mol Weight 317.43 g/mol
Molecular Formula C19H27NO3
Exact Mass 317.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 72MPkO3PzDg
Name 9,10-DIMETHOXY-1,3,4,6,7,11b-HEXAHYDRO-3-ISOBUTYL-2H-BENZO[a]QUINOLIZIN-2-ONE
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 58-46-8
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27NO3
InChI InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
InChIKey MKJIEFSOBYUXJB-UHFFFAOYSA-N
Melting Point 126-128C
Molecular Weight 317.43
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms TETRABENAZINE 2H-BENZO/A/QUINOLIZIN-2-ONE, 9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-3-ISOBUTYL-,