Ethyl (2-acetamido-3-(benzo[D][1,3]dioxol-5-yl)propanoyl)glycinate

SpectraBase Compound ID	KbiMLpSIhEJ
InChI	InChI=1S/C16H20N2O6/c1-3-22-15(20)8-17-16(21)12(18-10(2)19)6-11-4-5-13-14(7-11)24-9-23-13/h4-5,7,12H,3,6,8-9H2,1-2H3,(H,17,21)(H,18,19)
InChIKey	ILDRYDLECMQUNF-UHFFFAOYSA-N Google Search
Mol Weight	336.34 g/mol
Molecular Formula	C16H20N2O6
Exact Mass	336.132136 g/mol

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SpectraBase Spectrum ID	HraiC4nwXme
Name	Ethyl (2-acetamido-3-(benzo[D][1,3]dioxol-5-yl)propanoyl)glycinate
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	336.132136366 u
Formula	C16H20N2O6
InChI	InChI=1S/C16H20N2O6/c1-3-22-15(20)8-17-16(21)12(18-10(2)19)6-11-4-5-13-14(7-11)24-9-23-13/h4-5,7,12H,3,6,8-9H2,1-2H3,(H,17,21)(H,18,19)
InChIKey	ILDRYDLECMQUNF-UHFFFAOYSA-N
Molecular Weight	336.344 g/mol
SMILES	C(CNC(C(CC1=CC=C2OCOC2=C1)NC(C)=O)=O)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.94475