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WIN 54461

View entire compound with spectra: 1 FTIR, 1 Raman, and 3 MS (GC)

WIN 54461
SpectraBase Compound ID 98MQPN3lUu1
InChI InChI=1S/C23H25BrN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3
InChIKey DUYGSAPQVOBOCS-UHFFFAOYSA-N
Mol Weight 457.37 g/mol
Molecular Formula C23H25BrN2O3
Exact Mass 456.104856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUWboJhkVd8
Name WIN 54,461
Alternate Name(s) [(6-Bromo-2-methyl-1-[2-(4-morpholinyl)ethyl]-1H-indol-3-yl](4-methoxyphenyl)-methanone 6-Bromopravadoline (6-bromo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-yl)(4-methoxyphenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25BrN2O3
InChI InChI=1S/C23H25BrN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3
InChIKey DUYGSAPQVOBOCS-UHFFFAOYSA-N
Molecular Weight 457.368 g/mol
SMILES c1(ccc(cc1)OC)C(c1c([n](c2c1ccc(c2)Br)CCN1CCOCC1)C)=O
SPLASH splash10-0udi-1900000000-96bcf5efa499a60ee2b3
Source of Spectrum SWG-33-3132-0
Wiley ID 1810054