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4'-(Phenylsulfonyl)-4a',5',6',7',8',8a'-hexahydro-4'H-spiro-[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazoline]
SpectraBase Compound ID 4wtSC6hlera
InChI InChI=1S/C20H26N4O2S/c25-27(26,16-9-3-1-4-10-16)23-18-12-6-5-11-17(18)20(13-7-2-8-14-20)24-19(23)21-15-22-24/h1,3-4,9-10,15,17-18H,2,5-8,11-14H2
InChIKey PZOGLRWVWGFMMO-UHFFFAOYSA-N
Mol Weight 386.51 g/mol
Molecular Formula C20H26N4O2S
Exact Mass 386.177647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VkWNqDkGlu
Name 4'-(Phenylsulfonyl)-4a',5',6',7',8',8a'-hexahydro-4'H-spiro-[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazoline]
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Formula C20H26N4O2S
InChI InChI=1S/C20H26N4O2S/c25-27(26,16-9-3-1-4-10-16)23-18-12-6-5-11-17(18)20(13-7-2-8-14-20)24-19(23)21-15-22-24/h1,3-4,9-10,15,17-18H,2,5-8,11-14H2
InChIKey PZOGLRWVWGFMMO-UHFFFAOYSA-N
Molecular Weight 386.514 g/mol
SMILES c12N(C3C(C4([n]2ncn1)CCCCC4)CCCC3)S(=O)(=O)c1ccccc1
SPLASH splash10-00bd-8194000000-26c2532b79baac89aa29
Source of Spectrum Y-45-1425-12a
Wiley ID 1666426