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2-{4-[(5,6-Dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl]piperidine-1-carbonyl}benzaldehyde
SpectraBase Compound ID 2p95AqQCpG6
InChI InChI=1S/C25H27NO5/c1-30-22-13-18-12-19(24(28)21(18)14-23(22)31-2)11-16-7-9-26(10-8-16)25(29)20-6-4-3-5-17(20)15-27/h3-6,13-16,19H,7-12H2,1-2H3
InChIKey MDXSODFULGOTNP-UHFFFAOYSA-N
Mol Weight 421.49 g/mol
Molecular Formula C25H27NO5
Exact Mass 421.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6myLnWBJLm
Name 2-{4-[(5,6-Dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl]piperidine-1-carbonyl}benzaldehyde
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27NO5
InChI InChI=1S/C25H27NO5/c1-30-22-13-18-12-19(24(28)21(18)14-23(22)31-2)11-16-7-9-26(10-8-16)25(29)20-6-4-3-5-17(20)15-27/h3-6,13-16,19H,7-12H2,1-2H3
InChIKey MDXSODFULGOTNP-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202200190
Molecular Weight 421.493 g/mol
Reported Formula C25H27NO5
SMILES COc1c(cc2c(c1)C(C(C2)CC1CCN(CC1)C(=O)c1c(cccc1)C=O)=O)OC
SPLASH splash10-052o-1960100000-2e1a9153a7224e8676fa
Source of Spectrum ASC-364-SM17-5aac
Wiley ID 1868637