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cis-Lobelanin

View entire compound with spectra: 1 MS (GC)

cis-Lobelanin
SpectraBase Compound ID 83aYojdeaGK
InChI InChI=1S/C22H25NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3/t19-,20+
InChIKey IDEMKXUAULKYJV-BGYRXZFFSA-N
Mol Weight 335.45 g/mol
Molecular Formula C22H25NO2
Exact Mass 335.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9tpOL1OiMj5
Name cis-Lobelanin
CAS Registry Number 579-21-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO2
InChI InChI=1S/C22H25NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3/t19-,20+
InChIKey IDEMKXUAULKYJV-BGYRXZFFSA-N
Molecular Weight 335.447 g/mol
SMILES [C@]1(N([C@](CCC1)(CC(=O)c1ccccc1)[H])C)(CC(=O)c1ccccc1)[H]
SPLASH splash10-00kb-9330000000-d6030b40d516d4f5b085
Source of Spectrum AH-96-111-42
Synonyms Ethanone, 2,2'-(1-methyl-2,6-piperidinediyl)bis[1-phenyl-, cis- Lobelanine 2-[(2R,6S)-1-methyl-6-phenacyl-2-piperidinyl]-1-phenylethanone 2-[(2R,6S)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethanone 2-[(2R,6S)-1-methyl-6-phenacyl-piperidin-2-yl]-1-phenyl-ethanone
Wiley ID 1331842