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9-Hydroxy-6'-methoxyruban-3-(piperazin-1'-yl)ruban-2-one
SpectraBase Compound ID INiGIVKuiIs
InChI InChI=1S/C22H28N4O3/c1-29-15-2-3-18-17(13-15)16(4-6-24-18)21(27)19-12-14-5-9-26(19)22(28)20(14)25-10-7-23-8-11-25/h2-4,6,13-14,19-21,23,27H,5,7-12H2,1H3/t14-,19+,20?,21+/m1/s1
InChIKey CMHZQVSHBTVLPK-RBHKZWMFSA-N
Mol Weight 396.49 g/mol
Molecular Formula C22H28N4O3
Exact Mass 396.216141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 751J2GqxUqS
Name 9-Hydroxy-6'-methoxyruban-3-(piperazin-1'-yl)ruban-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N4O3
InChI InChI=1S/C22H28N4O3/c1-29-15-2-3-18-17(13-15)16(4-6-24-18)21(27)19-12-14-5-9-26(19)22(28)20(14)25-10-7-23-8-11-25/h2-4,6,13-14,19-21,23,27H,5,7-12H2,1H3/t14-,19+,20?,21+/m1/s1
InChIKey CMHZQVSHBTVLPK-RBHKZWMFSA-N
Molecular Weight 396.491 g/mol
SMILES N1CCN(C2C(N3[C@]([C@](c4c5c(ccc(c5)OC)ncc4)(O)[H])(C[C@]2(CC3)[H])[H])=O)CC1
SPLASH splash10-03di-1986000000-06f84d8668b268768cd7
Source of Spectrum H-81-1437-5
Synonyms 6-[(S)-hydroxy(6-methoxy-4-quinolinyl)methyl]-3-(1-piperazinyl)quinuclidin-2-one
Wiley ID 1367477