p-[o-(Octyloxy)benzamide]benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride

SpectraBase Compound ID	2ERqipAGC2L
InChI	InChI=1S/C28H40N2O4.ClH/c1-4-7-8-9-10-13-21-33-26-15-12-11-14-25(26)27(31)29-24-18-16-23(17-19-24)28(32)34-22-20-30(5-2)6-3;/h11-12,14-19H,4-10,13,20-22H2,1-3H3,(H,29,31);1H
InChIKey	DOABTEMOZNFDOP-UHFFFAOYSA-N Google Search
Mol Weight	505.1 g/mol
Molecular Formula	C28H41ClN2O4
Exact Mass	504.275486 g/mol

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SpectraBase Spectrum ID	IOkKwSg20uD
Name	p-[o-(Octyloxy)benzamide]benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	504.275485504 u
Formula	C28H41ClN2O4
InChI	InChI=1S/C28H40N2O4.ClH/c1-4-7-8-9-10-13-21-33-26-15-12-11-14-25(26)27(31)29-24-18-16-23(17-19-24)28(32)34-22-20-30(5-2)6-3;/h11-12,14-19H,4-10,13,20-22H2,1-3H3,(H,29,31);1H
InChIKey	DOABTEMOZNFDOP-UHFFFAOYSA-N
Molecular Weight	505.099 g/mol
SMILES	Cl.N(C=1C=CC(=CC1)C(OCCN(CC)CC)=O)C(C=1C=CC=CC1OCCCCCCCC)=O
Spectrum/Structure Validation Score (Raman)	0.863674