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(+)-cis-5-Butyl-2-phenyl-8-(trans-2-phenylcyclohexyloxy)-5,8-dihydro-[1,2,4]triazolo[1.2-a]pyridazine-1,3-dione
SpectraBase Compound ID 67SSUH2FkFF
InChI InChI=1S/C28H33N3O3/c1-2-3-14-23-19-20-26(34-25-18-11-10-17-24(25)21-12-6-4-7-13-21)31-28(33)29(27(32)30(23)31)22-15-8-5-9-16-22/h4-9,12-13,15-16,19-20,23-26H,2-3,10-11,14,17-18H2,1H3/t23-,24+,25-,26+/m1/s1
InChIKey LMGZGNLFSALWRG-ZJSPYRCASA-N
Mol Weight 459.6 g/mol
Molecular Formula C28H33N3O3
Exact Mass 459.252192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASff0yjJXmA
Name (+)-cis-5-Butyl-2-phenyl-8-(trans-2-phenylcyclohexyloxy)-5,8-dihydro-[1,2,4]triazolo[1.2-a]pyridazine-1,3-dione
Alternate Name(s) (5R,8S)-5-butyl-2-phenyl-8-{[(1R,2S)-2-phenylcyclohexyl]oxy}-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H33N3O3
InChI InChI=1S/C28H33N3O3/c1-2-3-14-23-19-20-26(34-25-18-11-10-17-24(25)21-12-6-4-7-13-21)31-28(33)29(27(32)30(23)31)22-15-8-5-9-16-22/h4-9,12-13,15-16,19-20,23-26H,2-3,10-11,14,17-18H2,1H3/t23-,24+,25-,26+/m1/s1
InChIKey LMGZGNLFSALWRG-ZJSPYRCASA-N
Molecular Weight 459.590 g/mol
SMILES C1(N2N(C(N1c1ccccc1)=O)[C@](CCCC)(C=C[C@@]2(O[C@]1([C@](c2ccccc2)(CCCC1)[H])[H])[H])[H])=O
SPLASH splash10-0006-9210000000-b1f2c739f1a1551f27ea
Source of Spectrum F-53-13443-8
Wiley ID 803937