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N-Allyl-N-(4-methoxybenzyl)-(1R*,2S*)-2-phenylethynylcyclopropanecarboxamide
SpectraBase Compound ID Dt6J1jYS2pU
InChI InChI=1S/C23H23NO2/c1-3-15-24(17-19-10-13-21(26-2)14-11-19)23(25)22-16-20(22)12-9-18-7-5-4-6-8-18/h3-8,10-11,13-14,20,22H,1,15-17H2,2H3/t20-,22+/m0/s1
InChIKey JHGPAVBWSIYXTK-RBBKRZOGSA-N
Mol Weight 345.44 g/mol
Molecular Formula C23H23NO2
Exact Mass 345.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69HyAcmdnY
Name N-Allyl-N-(4-methoxybenzyl)-(1R*,2S*)-2-phenylethynylcyclopropanecarboxamide
Alternate Name(s) (1R,2S)-N-allyl-N-(4-methoxybenzyl)-2-(phenylethynyl)cyclopropanecarboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23NO2
InChI InChI=1S/C23H23NO2/c1-3-15-24(17-19-10-13-21(26-2)14-11-19)23(25)22-16-20(22)12-9-18-7-5-4-6-8-18/h3-8,10-11,13-14,20,22H,1,15-17H2,2H3/t20-,22+/m0/s1
InChIKey JHGPAVBWSIYXTK-RBBKRZOGSA-N
Literature Reference DOI 10.1021/ol1029996
Molecular Weight 345.442 g/mol
SMILES [C@]1(C[C@@]1([H])C(N(Cc1ccc(cc1)OC)CC=C)=O)(C#Cc1ccccc1)[H]
SPLASH splash10-00di-2920000000-a03e27e8ae9ef410da3c
Source of Spectrum A1-13-956/SMS21-40
Wiley ID 1752791