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17-ALPHA-DIABOLIN-N(B)-HYDROCHLORIDE
SpectraBase Compound ID J6vV1OtTEO
InChI InChI=1S/C21H24N2O3.ClH/c1-12(24)23-16-5-3-2-4-15(16)21-7-8-22-11-13-6-9-26-20(25)18(19(21)23)14(13)10-17(21)22;/h2-6,14,17-20,25H,7-11H2,1H3;1H/t14-,17-,18+,19-,20-,21+;/m0./s1
InChIKey HWNDKUQUULZMTK-BSRWZALPSA-N
Mol Weight 388.9 g/mol
Molecular Formula C21H25ClN2O3
Exact Mass 388.15537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 533A41BoorK
Name 17-ALPHA-DIABOLIN-N(B)-HYDROCHLORIDE
CAS Registry Number 64783-89-7
Compound Number 6E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25ClN2O3
InChI InChI=1S/C21H24N2O3.ClH/c1-12(24)23-16-5-3-2-4-15(16)21-7-8-22-11-13-6-9-26-20(25)18(19(21)23)14(13)10-17(21)22;/h2-6,14,17-20,25H,7-11H2,1H3;1H/t14-,17-,18+,19-,20-,21+;/m0./s1
InChIKey HWNDKUQUULZMTK-BSRWZALPSA-N
Literature Reference Author E.WENKERT,H.T.A.CHEUNG,H.E.GOTTLIEB,M.C.KOCH,A.RABARON,M.M.P LAT
Literature Reference Citation J.ORG.CHEM.,43,1099(1978)
Literature Reference DOI 10.1021/jo00400a017
Molecular Weight 388.894 g/mol
Solvent D2O:H2O=1:1
Source File Reference UWRK2436