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3-(3-Benzylamino-3-methylbut-1-ynyl)benzoic acid methyl ester
SpectraBase Compound ID KcWjV78XyIv
InChI InChI=1S/C20H21NO2/c1-20(2,21-15-17-8-5-4-6-9-17)13-12-16-10-7-11-18(14-16)19(22)23-3/h4-11,14,21H,15H2,1-3H3
InChIKey ZVENLQQAXVNBJM-UHFFFAOYSA-N
Mol Weight 307.39 g/mol
Molecular Formula C20H21NO2
Exact Mass 307.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZ7C2OOPVCA
Name 3-(3-Benzylamino-3-methylbut-1-ynyl)benzoic acid methyl ester
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Formula C20H21NO2
InChI InChI=1S/C20H21NO2/c1-20(2,21-15-17-8-5-4-6-9-17)13-12-16-10-7-11-18(14-16)19(22)23-3/h4-11,14,21H,15H2,1-3H3
InChIKey ZVENLQQAXVNBJM-UHFFFAOYSA-N
Molecular Weight 307.393 g/mol
SMILES N(C(C#Cc1cc(C(=O)OC)ccc1)(C)C)Cc1ccccc1
SPLASH splash10-0006-1091000000-c9ae0129d12d0ab26338
Source of Spectrum F4-0-2024-2
Synonyms Methyl 3-[3-(benzylamino)-3-methyl-1-butynyl]benzoate
Wiley ID 1619905