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2.alpha.-(2-Chloroethyl)-1,6,7,11b.beta.-tetrahydro-3,7.beta.-diphenyl-2H-pyrimido[6,1-a]isoquinolin-4(3H)-one
SpectraBase Compound ID KYec2c4rmQq
InChI InChI=1S/C26H25ClN2O/c27-16-15-21-17-25-23-14-8-7-13-22(23)24(19-9-3-1-4-10-19)18-28(25)26(30)29(21)20-11-5-2-6-12-20/h1-14,21,24-25H,15-18H2/t21-,24?,25-/m0/s1
InChIKey AWMSJWGHOPXQFO-BIYQJSDESA-N
Mol Weight 416.95 g/mol
Molecular Formula C26H25ClN2O
Exact Mass 416.165541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEVmefVzlch
Name 2.alpha.-(2-Chloroethyl)-1,6,7,11b.beta.-tetrahydro-3,7.beta.-diphenyl-2H-pyrimido[6,1-a]isoquinolin-4(3H)-one
CAS Registry Number 87680-26-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25ClN2O
InChI InChI=1S/C26H25ClN2O/c27-16-15-21-17-25-23-14-8-7-13-22(23)24(19-9-3-1-4-10-19)18-28(25)26(30)29(21)20-11-5-2-6-12-20/h1-14,21,24-25H,15-18H2/t21-,24?,25-/m0/s1
InChIKey AWMSJWGHOPXQFO-BIYQJSDESA-N
Molecular Weight 416.952 g/mol
SMILES C1(N2[C@@](c3ccccc3C(C2)c2ccccc2)([H])C[C@@](N1c1ccccc1)(CCCl)[H])=O
SPLASH splash10-01b9-0009700000-d9d4f312f62002519eff
Source of Spectrum J-48-5078-0
Synonyms (2R,11bS)-2-(2-chloroethyl)-3,7-diphenyl-1,2,3,6,7,11b-hexahydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Wiley ID 1376533