3-[3-methyl-3-[(phenylmethyl)amino]pent-1-ynyl]benzoic acid methyl ester

SpectraBase Compound ID	LijnPbScgWd
InChI	InChI=1S/C21H23NO2/c1-4-21(2,22-16-18-9-6-5-7-10-18)14-13-17-11-8-12-19(15-17)20(23)24-3/h5-12,15,22H,4,16H2,1-3H3
InChIKey	AYSKYVHEROYKDU-UHFFFAOYSA-N Google Search
Mol Weight	321.42 g/mol
Molecular Formula	C21H23NO2
Exact Mass	321.172879 g/mol

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SpectraBase Spectrum ID	7ttcuHQ6LHG
Name	3-[3-methyl-3-[(phenylmethyl)amino]pent-1-ynyl]benzoic acid methyl ester
Alternate Name(s)	Methyl 3-[3-(benzylamino)-3-methyl-pent-1-ynyl]benzoate Methyl 3-[3-methyl-3-[(phenylmethyl)amino]pent-1-ynyl]benzoate Methyl 3-[3-(benzylamino)-3-methylpent-1-ynyl]benzoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H23NO2
InChI	InChI=1S/C21H23NO2/c1-4-21(2,22-16-18-9-6-5-7-10-18)14-13-17-11-8-12-19(15-17)20(23)24-3/h5-12,15,22H,4,16H2,1-3H3
InChIKey	AYSKYVHEROYKDU-UHFFFAOYSA-N
Molecular Weight	321.420 g/mol
SMILES	N(C(C#Cc1cc(C(=O)OC)ccc1)(CC)C)Cc1ccccc1
SPLASH	splash10-0006-4090000000-d5d51afdb5294ddb1bf3
Source of Spectrum	F4-0-2025-2
Wiley ID	1619951