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trans-2-phenyl-4-(p-tolyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one
SpectraBase Compound ID 3uizNv4NGqH
InChI InChI=1S/C21H22N2O/c1-15-11-13-16(14-12-15)20-18-9-5-6-10-19(18)21(24)23(22-20)17-7-3-2-4-8-17/h2-4,7-8,11-14,18-19H,5-6,9-10H2,1H3/t18-,19-/m1/s1
InChIKey YQQWEVVDMRYAPD-RTBURBONSA-N
Mol Weight 318.42 g/mol
Molecular Formula C21H22N2O
Exact Mass 318.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DXnr1fhwi3C
Name trans-2-phenyl-4-(p-tolyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O
InChI InChI=1S/C21H22N2O/c1-15-11-13-16(14-12-15)20-18-9-5-6-10-19(18)21(24)23(22-20)17-7-3-2-4-8-17/h2-4,7-8,11-14,18-19H,5-6,9-10H2,1H3/t18-,19-/m1/s1
InChIKey YQQWEVVDMRYAPD-RTBURBONSA-N
Instrument Name VG Analytical MM 7070E
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290081223
Molecular Weight 318.420 g/mol
SMILES [C@]12(C(N(N=C([C@@]2(CCCC1)[H])c1ccc(cc1)C)c1ccccc1)=O)[H]
SPLASH splash10-014i-4419000000-c8b3eeb36b823231f393
Source of Spectrum RCM-8-1022-9
Wiley ID 1835634