p-[2-(3,5-Dimethylmorpholino)acetamido]benzoic acid, isobutyl ester, hydrochloride

SpectraBase Compound ID	9C5tc7MjxQa
InChI	InChI=1S/C19H28N2O4.ClH/c1-13(2)10-25-19(23)16-5-7-17(8-6-16)20-18(22)9-21-14(3)11-24-12-15(21)4;/h5-8,13-15H,9-12H2,1-4H3,(H,20,22);1H
InChIKey	OMQJHEJWBAKGMB-UHFFFAOYSA-N Google Search
Mol Weight	384.9 g/mol
Molecular Formula	C19H29ClN2O4
Exact Mass	384.181585 g/mol

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SpectraBase Spectrum ID	GdNpd9ngJt7
Name	p-[2-(3,5-Dimethylmorpholino)acetamido]benzoic acid, isobutyl ester, hydrochloride
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	384.181585118 u
Formula	C19H29ClN2O4
InChI	InChI=1S/C19H28N2O4.ClH/c1-13(2)10-25-19(23)16-5-7-17(8-6-16)20-18(22)9-21-14(3)11-24-12-15(21)4;/h5-8,13-15H,9-12H2,1-4H3,(H,20,22);1H
InChIKey	OMQJHEJWBAKGMB-UHFFFAOYSA-N
Molecular Weight	384.904 g/mol
SMILES	Cl.N(C=1C=CC(=CC1)C(OCC(C)C)=O)C(CN1C(COCC1C)C)=O
Spectrum/Structure Validation Score (Raman)	0.809605