cis-13,16-Docasadienoic acid

SpectraBase Compound ID	B4mKhmFor5s
InChI	InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6-,10-9-
InChIKey	HVGRZDASOHMCSK-HZJYTTRNSA-N Google Search
Mol Weight	336.6 g/mol
Molecular Formula	C22H40O2
Exact Mass	336.302831 g/mol

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SpectraBase Spectrum ID	4ySbF4Q5KMm
Name	cis-13,16-Docasadienoic acid
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	336.302830526 u
Formula	C22H40O2
InChI	InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6-,10-9-
InChIKey	HVGRZDASOHMCSK-HZJYTTRNSA-N
Molecular Weight	336.560 g/mol
SMILES	C(CCCCCCCCCC(=O)O)C\C=C/C\C=C/CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.957741