2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid o-tolylamide

SpectraBase Compound ID	4jqrg3RnWSz
InChI	InChI=1S/C16H15NO3/c1-11-6-2-3-7-12(11)17-16(18)15-10-19-13-8-4-5-9-14(13)20-15/h2-9,15H,10H2,1H3,(H,17,18)
InChIKey	SJBLZFFFAAMGOF-UHFFFAOYSA-N Google Search
Mol Weight	269.3 g/mol
Molecular Formula	C16H15NO3
Exact Mass	269.105193 g/mol

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SpectraBase Spectrum ID	3lJOjiAOzuY
Name	2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid o-tolylamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	269.105193344 u
Formula	C16H15NO3
InChI	InChI=1S/C16H15NO3/c1-11-6-2-3-7-12(11)17-16(18)15-10-19-13-8-4-5-9-14(13)20-15/h2-9,15H,10H2,1H3,(H,17,18)
InChIKey	SJBLZFFFAAMGOF-UHFFFAOYSA-N
Molecular Weight	269.300 g/mol
SMILES	C=12C(OCC(O2)C(NC=2C(=CC=CC2)C)=O)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.855207