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NKAGAIZZZZWECQ-WAZPIBNXSA-M

View entire compound with spectra: 2 NMR

NKAGAIZZZZWECQ-WAZPIBNXSA-M
SpectraBase Compound ID CLwokAx3RRl
InChI InChI=1S/C21H32NO3.BrH/c1-3-4-12-22(2)17-10-11-18(22)14-19(13-17)25-21(24)20(15-23)16-8-6-5-7-9-16;/h5-9,17-20,23H,3-4,10-15H2,1-2H3;1H/q+1;/p-1/t17-,18+,19-,20?,22+;
InChIKey NKAGAIZZZZWECQ-WAZPIBNXSA-M
Mol Weight 426.4 g/mol
Molecular Formula C21H32BrNO3
Exact Mass 425.156557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBK0pnWAyf6
Name NKAGAIZZZZWECQ-WAZPIBNXSA-M
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32BrNO3
InChI InChI=1S/C21H32NO3.BrH/c1-3-4-12-22(2)17-10-11-18(22)14-19(13-17)25-21(24)20(15-23)16-8-6-5-7-9-16;/h5-9,17-20,23H,3-4,10-15H2,1-2H3;1H/q+1;/p-1/t17-,18+,19-,20?,22+;
InChIKey NKAGAIZZZZWECQ-WAZPIBNXSA-M
Literature Reference Author K.H.POOK,W.SCHULZ,R.BANHOLZER
Literature Reference Citation LIEB.ANN.CHEM.,1499(1975)
Molecular Weight 426.394 g/mol
Solvent CD3OD
Source File Reference UWCS12454