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(4aS,8aR)-3-(3-chlorophenyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
SpectraBase Compound ID GIGeXd31MFE
InChI InChI=1S/C14H15ClN2O2/c15-9-4-3-5-10(8-9)17-13(18)11-6-1-2-7-12(11)16-14(17)19/h3-5,8,11-12H,1-2,6-7H2,(H,16,19)/t11-,12+/m0/s1
InChIKey IPWTYLKNSHGYOS-NWDGAFQWSA-N
Mol Weight 278.74 g/mol
Molecular Formula C14H15ClN2O2
Exact Mass 278.082205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEpENgaK4jf
Name (4aS,8aR)-3-(3-chlorophenyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
CAS Registry Number 128668-93-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15ClN2O2
InChI InChI=1S/C14H15ClN2O2/c15-9-4-3-5-10(8-9)17-13(18)11-6-1-2-7-12(11)16-14(17)19/h3-5,8,11-12H,1-2,6-7H2,(H,16,19)/t11-,12+/m0/s1
InChIKey IPWTYLKNSHGYOS-NWDGAFQWSA-N
Molecular Weight 278.739 g/mol
SMILES N1[C@]2([C@@](C(N(C1=O)c1cc(Cl)ccc1)=O)(CCCC2)[H])[H]
SPLASH splash10-0059-9650000000-7893791394745df86f69
Source of Spectrum O-25-278-3
Synonyms (4aS,8aR)-3-(3-chlorophenyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-quinone 3-(3-Chlorophenyl)hexahydro-2,4(1H,3H)-quinazolinedione cis-3-(3-Chlorophenyl)-perhydrocyclohexano[d]pyrimidin-2,4-dione
Wiley ID 1281761