2-Oxo-2H-chromene-3-carboxylic acid [2-(adamantan-1-yloxy)-ethyl]-amide

SpectraBase Compound ID	4AMZftTBhIs
InChI	InChI=1S/C22H25NO4/c24-20(18-10-17-3-1-2-4-19(17)27-21(18)25)23-5-6-26-22-11-14-7-15(12-22)9-16(8-14)13-22/h1-4,10,14-16H,5-9,11-13H2,(H,23,24)
InChIKey	XBSMZUOKSVQCIV-UHFFFAOYSA-N Google Search
Mol Weight	367.45 g/mol
Molecular Formula	C22H25NO4
Exact Mass	367.178358 g/mol

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SpectraBase Spectrum ID	FTbg9YXH7Fs
Name	2-oxo-2H-Chromene-3-carboxylic acid [2-(adamantan-1-yloxy)-ethyl]-amide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	367.178358285 u
Formula	C22H25NO4
InChI	InChI=1S/C22H25NO4/c24-20(18-10-17-3-1-2-4-19(17)27-21(18)25)23-5-6-26-22-11-14-7-15(12-22)9-16(8-14)13-22/h1-4,10,14-16H,5-9,11-13H2,(H,23,24)
InChIKey	XBSMZUOKSVQCIV-UHFFFAOYSA-N
Molecular Weight	367.445 g/mol
SMILES	C=1(C(OC=2C(C1)=CC=CC2)=O)C(=O)NCCOC12CC3CC(C2)CC(C1)C3
Spectrum/Structure Validation Score (Vapor Phase IR)	0.861608