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9-Hydroxy-6'-methoxyruban-3-(pyrrolidin-1'-yl)ruban-2-one
SpectraBase Compound ID 5p8j5aQwenA
InChI InChI=1S/C22H27N3O3/c1-28-15-4-5-18-17(13-15)16(6-8-23-18)21(26)19-12-14-7-11-25(19)22(27)20(14)24-9-2-3-10-24/h4-6,8,13-14,19-21,26H,2-3,7,9-12H2,1H3/t14-,19?,20+,21+/m1/s1
InChIKey XGIBTFUNOAVGMM-IBXLWUJLSA-N
Mol Weight 381.48 g/mol
Molecular Formula C22H27N3O3
Exact Mass 381.205242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoDClKgQV9F
Name 9-Hydroxy-6'-methoxyruban-3-(pyrrolidin-1'-yl)ruban-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27N3O3
InChI InChI=1S/C22H27N3O3/c1-28-15-4-5-18-17(13-15)16(6-8-23-18)21(26)19-12-14-7-11-25(19)22(27)20(14)24-9-2-3-10-24/h4-6,8,13-14,19-21,26H,2-3,7,9-12H2,1H3/t14-,19?,20+,21+/m1/s1
InChIKey XGIBTFUNOAVGMM-IBXLWUJLSA-N
Molecular Weight 381.476 g/mol
SMILES O[C@](C1N2C([C@](N3CCCC3)([H])[C@](CC2)(C1)[H])=O)(c1c2c(ccc(c2)OC)ncc1)[H]
SPLASH splash10-06rt-4095000000-6ebd9f4e5aedd5c64bc9
Source of Spectrum H-81-1437-5
Synonyms 6-[(S)-hydroxy(6-methoxy-4-quinolinyl)methyl]-3-(1-pyrrolidinyl)quinuclidin-2-one
Wiley ID 1360233