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(5R,8S)-5,8-bis(2-tert-butyl-3,3-dimethyl-but-1-enyl)-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
SpectraBase Compound ID 1kVfyDNwxpN
InChI InChI=1S/C32H47N3O2/c1-29(2,3)25(30(4,5)6)20-23-18-19-24(21-26(31(7,8)9)32(10,11)12)35-28(37)33(27(36)34(23)35)22-16-14-13-15-17-22/h13-21,23-24H,1-12H3/t23-,24+
InChIKey MPOLKIQDLBTITB-PSWAGMNNSA-N
Mol Weight 505.7 g/mol
Molecular Formula C32H47N3O2
Exact Mass 505.366828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TyI3njSmtd
Name (5R,8S)-5,8-bis(2-tert-butyl-3,3-dimethyl-but-1-enyl)-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
Appearance Colorless needles
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Formula C32H47N3O2
InChI InChI=1S/C32H47N3O2/c1-29(2,3)25(30(4,5)6)20-23-18-19-24(21-26(31(7,8)9)32(10,11)12)35-28(37)33(27(36)34(23)35)22-16-14-13-15-17-22/h13-21,23-24H,1-12H3/t23-,24+
InChIKey MPOLKIQDLBTITB-PSWAGMNNSA-N
Instrument Name FINNIGAN MAT 90x
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.11.139
Molecular Weight 505.747 g/mol
Reported Formula C32H47N3O2
SMILES C(=C[C@]1(C=C[C@@](C=C(C(C)(C)C)C(C)(C)C)(N2C(N(C(=O)N12)c1ccccc1)=O)[H])[H])(C(C)(C)C)C(C)(C)C
SPLASH splash10-05fr-3090310000-37c35d4d93c99931de57
Source of Spectrum BJO-11-SM16-37
Wiley ID 1851505