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Kopsinone

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Kopsinone
SpectraBase Compound ID HVHwQyc9GQk
InChI InChI=1S/C21H22N2O3/c1-26-18(25)23-15-6-3-2-5-14(15)21-10-12-22-11-4-7-19(17(21)22)8-9-20(21,23)13-16(19)24/h2-7,17H,8-13H2,1H3/t17-,19+,20+,21+/m0/s1
InChIKey YJPZEEJEVQHKLG-OYNPSCLESA-N
Mol Weight 350.42 g/mol
Molecular Formula C21H22N2O3
Exact Mass 350.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ml6SNdrEIm
Name Kopsinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O3
InChI InChI=1S/C21H22N2O3/c1-26-18(25)23-15-6-3-2-5-14(15)21-10-12-22-11-4-7-19(17(21)22)8-9-20(21,23)13-16(19)24/h2-7,17H,8-13H2,1H3/t17-,19+,20+,21+/m0/s1
InChIKey YJPZEEJEVQHKLG-OYNPSCLESA-N
Molecular Weight 350.418 g/mol
SMILES [C@]123[C@]4(N(C(=O)OC)c5c3cccc5)CC([C@]3([C@@]2(N(CC=C3)CC1)[H])CC4)=O
SPLASH splash10-0zmi-0119000000-268a4bb7cbcf4500dfc8
Source of Spectrum X2-51-707-5
Wiley ID 1602753