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4(3H)-Quinazolinone, 2-ethyl-3-(5-hydroxy-1-methyl-7-azabicyclo[4.1.0]hept-7-yl)-, (1.alpha.,5.beta.,6.alpha.)-
SpectraBase Compound ID DCF5SpCgBB9
InChI InChI=1S/C17H21N3O2/c1-3-14-18-12-8-5-4-7-11(12)16(22)19(14)20-15-13(21)9-6-10-17(15,20)2/h4-5,7-8,13,15,21H,3,6,9-10H2,1-2H3/t13-,15-,17+,20?/m1/s1
InChIKey CIPQYGTYVZCEII-SGPCGWDZSA-N
Mol Weight 299.37 g/mol
Molecular Formula C17H21N3O2
Exact Mass 299.163377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQXQFJN2pr0
Name 4(3H)-Quinazolinone, 2-ethyl-3-(5-hydroxy-1-methyl-7-azabicyclo[4.1.0]hept-7-yl)-, (1.alpha.,5.beta.,6.alpha.)-
CAS Registry Number 125247-61-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21N3O2
InChI InChI=1S/C17H21N3O2/c1-3-14-18-12-8-5-4-7-11(12)16(22)19(14)20-15-13(21)9-6-10-17(15,20)2/h4-5,7-8,13,15,21H,3,6,9-10H2,1-2H3/t13-,15-,17+,20?/m1/s1
InChIKey CIPQYGTYVZCEII-SGPCGWDZSA-N
Molecular Weight 299.374 g/mol
SMILES O[C@]1([C@]2(N(N3C(c4ccccc4N=C3CC)=O)[C@]2(CCC1)C)[H])[H]
SPLASH splash10-00g0-0910000000-904223770bf7f9536a0b
Source of Spectrum KC-1989-1518-19
Synonyms 7-Azabicyclo[4.1.0]heptane, 4(3H)-quinazolinone deriv. 2-Ethyl-3-[(1S,5R,6S)-5-hydroxy-1-methyl-7-azabicyclo[4.1.0]hept-7-yl]-4(3H)-quinazolinone 7-(2-Ethyl-3,4-dihydro-4-oxoquinazolin-3-yl)-5.alpha.-hydroxy-1-methyl-7-azabicyclo[4.1.0]heptane
Wiley ID 1302076