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(2E,4E)-3-methyl-5-phenyl-penta-2,4-dienoic acid quinolizidin-1-ylmethyl ester
SpectraBase Compound ID CHg91asOnLq
InChI InChI=1S/C22H29NO2/c1-18(12-13-19-8-3-2-4-9-19)16-22(24)25-17-20-10-7-15-23-14-6-5-11-21(20)23/h2-4,8-9,12-13,16,20-21H,5-7,10-11,14-15,17H2,1H3/b13-12+,18-16+
InChIKey LFSIDNBLRSULJS-SMSZEUIGSA-N
Mol Weight 339.48 g/mol
Molecular Formula C22H29NO2
Exact Mass 339.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9HJ6cbX2YCQ
Name (2E,4E)-3-methyl-5-phenyl-penta-2,4-dienoic acid quinolizidin-1-ylmethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO2
InChI InChI=1S/C22H29NO2/c1-18(12-13-19-8-3-2-4-9-19)16-22(24)25-17-20-10-7-15-23-14-6-5-11-21(20)23/h2-4,8-9,12-13,16,20-21H,5-7,10-11,14-15,17H2,1H3/b13-12+,18-16+
InChIKey LFSIDNBLRSULJS-SMSZEUIGSA-N
Molecular Weight 339.479 g/mol
SMILES c1ccc(\C=C\C(=C\C(OCC2C3N(CCC2)CCCC3)=O)C)cc1
SPLASH splash10-0udl-4900000000-d0949ca95fba19fb1639
Synonyms (2E,4E)-3-methyl-5-phenylpenta-2,4-dienoic acid 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl ester 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl (2E,4E)-3-methyl-5-phenyl-penta-2,4-dienoate Penta-2,4-dienoic acid, 3-methyl-5-phenyl-, (octahydroquinolizin-1-yl)methyl ester
Wiley ID 1443041