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2-(2-Chloroethyl)-1,6,7,11b-tetrahydro-3,7.alpha.-diphenyl-2H-pyrimido[6.1-a]isoquinolin-4(3H)-one
SpectraBase Compound ID HQFjSu6lBO4
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?/m1/s1
InChIKey AWMSJWGHOPXQFO-OOAAYMRMSA-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 5t5TjyenEwZ
Name 2-(2-Chloroethyl)-1,6,7,11b-tetrahydro-3,7.alpha.-diphenyl-2H-pyrimido[6.1-a]isoquinolin-4(3H)-one
CAS Registry Number 87680-27-1
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?/m1/s1
InChIKey AWMSJWGHOPXQFO-OOAAYMRMSA-N
Molecular Weight 416.952 g/mol
SMILES C1(N2C(c3ccccc3[C@](C2)(c2ccccc2)[H])CC(N1c1ccccc1)CCCl)=O
SPLASH splash10-01b9-0009700000-d9d4f312f62002519eff
Source of Spectrum J-48-5078-0
Synonyms (7R)-2-(2-chloroethyl)-3,7-diphenyl-1,2,3,6,7,11b-hexahydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Wiley ID 1376534