Adamantane-1-carboxylic acid [2-(4-chloro-phenyl)-ethyl]-amide

SpectraBase Compound ID	2g7YbDGjATV
InChI	InChI=1S/C19H24ClNO/c20-17-3-1-13(2-4-17)5-6-21-18(22)19-10-14-7-15(11-19)9-16(8-14)12-19/h1-4,14-16H,5-12H2,(H,21,22)/t14-,15+,16-,19-
InChIKey	CGQIJHOTCWOLSI-HGYGSNGRSA-N Google Search
Mol Weight	317.86 g/mol
Molecular Formula	C19H24ClNO
Exact Mass	317.154642 g/mol

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SpectraBase Spectrum ID	8FXhX5e7kSv
Name	Adamantane-1-carboxylic acid [2-(4-chloro-phenyl)-ethyl]-amide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	317.154642096 u
Formula	C19H24ClNO
InChI	InChI=1S/C19H24ClNO/c20-17-3-1-13(2-4-17)5-6-21-18(22)19-10-14-7-15(11-19)9-16(8-14)12-19/h1-4,14-16H,5-12H2,(H,21,22)/t14-,15+,16-,19-
InChIKey	CGQIJHOTCWOLSI-HGYGSNGRSA-N
Molecular Weight	317.860 g/mol
SMILES	C12(C(=O)NCCC3=CC=C(C=C3)Cl)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.937597