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(5R,8R)-5-(2-tert-butyl-3,3-dimethyl-but-1-enyl)-8-[(1E)-4-tert-butyl-5,5-dimethyl-hexa-1,3-dienyl]-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione

View entire compound with spectra: 1 MS (GC)

(5R,8R)-5-(2-tert-butyl-3,3-dimethyl-but-1-enyl)-8-[(1E)-4-tert-butyl-5,5-dimethyl-hexa-1,3-dienyl]-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
SpectraBase Compound ID 6CKtdPBYi9e
InChI InChI=1S/C34H49N3O2/c1-31(2,3)27(32(4,5)6)20-16-19-25-21-22-26(23-28(33(7,8)9)34(10,11)12)37-30(39)35(29(38)36(25)37)24-17-14-13-15-18-24/h13-23,25-26H,1-12H3/b19-16+/t25-,26-/m1/s1
InChIKey WMUASPRAQPCMOU-IDQKRKFNSA-N
Mol Weight 531.8 g/mol
Molecular Formula C34H49N3O2
Exact Mass 531.382478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7K0IxKPxU
Name (5R,8R)-5-(2-tert-butyl-3,3-dimethyl-but-1-enyl)-8-[(1E)-4-tert-butyl-5,5-dimethyl-hexa-1,3-dienyl]-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
Appearance Colorless powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H49N3O2
InChI InChI=1S/C34H49N3O2/c1-31(2,3)27(32(4,5)6)20-16-19-25-21-22-26(23-28(33(7,8)9)34(10,11)12)37-30(39)35(29(38)36(25)37)24-17-14-13-15-18-24/h13-23,25-26H,1-12H3/b19-16+/t25-,26-/m1/s1
InChIKey WMUASPRAQPCMOU-IDQKRKFNSA-N
Instrument Name FINNIGAN MAT 90x
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.11.139
Molecular Weight 531.785 g/mol
Reported Formula C34H49N3O2
SMILES C(C(C)(C)C)(C(C)(C)C)=C[C@@]1(N2N(C(=O)N(c3ccccc3)C2=O)[C@](\C=C\C=C(C(C)(C)C)C(C)(C)C)(C=C1)[H])[H]
SPLASH splash10-0a4j-8090110000-9af9c71dc74f69d01fa7
Source of Spectrum BJO-11-SM17-38
Wiley ID 1851506