(2E,4E,6E,8E)-9-[2-[(1E,3E)-5-keto-5-methoxy-penta-1,3-dienyl]phenyl]nona-2,4,6,8-tetraenoic acid methyl ester

SpectraBase Compound ID	6PBPCfniqt2
InChI	InChI=1S/C22H22O4/c1-25-21(23)17-8-6-4-3-5-7-13-19-14-9-10-15-20(19)16-11-12-18-22(24)26-2/h3-18H,1-2H3/b5-3+,6-4+,13-7+,16-11+,17-8+,18-12+
InChIKey	NSMLLNYPFBHOCC-IQFZKPHJSA-N Google Search
Mol Weight	350.41 g/mol
Molecular Formula	C22H22O4
Exact Mass	350.151809 g/mol

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SpectraBase Spectrum ID	CRZZL0Lwx7Q
Name	methyl (2E,4E,6E,8E)-9-[2-[(1E,3E)-5-methoxy-5-oxo-penta-1,3-dienyl]phenyl]nona-2,4,6,8-tetraenoate
Appearance	Yellow amorphous solid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H22O4
InChI	InChI=1S/C22H22O4/c1-25-21(23)17-8-6-4-3-5-7-13-19-14-9-10-15-20(19)16-11-12-18-22(24)26-2/h3-18H,1-2H3/b5-3+,6-4+,13-7+,16-11+,17-8+,18-12+
InChIKey	NSMLLNYPFBHOCC-IQFZKPHJSA-N
Instrument Name	Finnigan MAT 95
Ionization Type	EI
Literature Reference DOI	10.1021/np049852t
Molecular Weight	350.414 g/mol
Reported Formula	C22H22O4
SMILES	c1cc(c(cc1)\C=C\C=C\C(OC)=O)\C=C\C=C\C=C\C=C\C(OC)=O
SPLASH	splash10-0udi-0829000000-ad57600fbfccaefcccb7
Source of Spectrum	G4-67-1632-3
Wiley ID	1881920