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2-tert-Butyl-4-(phenylmethyl)-6,7-di(propan-2-yloxy)-1,4-dihydroisoquinoline-3,5,8-trione
SpectraBase Compound ID 8TG49HXtanb
InChI InChI=1S/C26H33NO5/c1-15(2)31-23-21(28)19-14-27(26(5,6)7)25(30)18(13-17-11-9-8-10-12-17)20(19)22(29)24(23)32-16(3)4/h8-12,15-16,18H,13-14H2,1-7H3
InChIKey WZZFBBMMPSTFQP-UHFFFAOYSA-N
Mol Weight 439.6 g/mol
Molecular Formula C26H33NO5
Exact Mass 439.235873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6P0tU8clLML
Name 2-tert-Butyl-4-(phenylmethyl)-6,7-di(propan-2-yloxy)-1,4-dihydroisoquinoline-3,5,8-trione
Alternate Name(s) 4-Benzyl-2-tert-butyl-6,7-di(propan-2-yloxy)-1,4-dihydroisoquinoline-3,5,8-trione 4-Benzyl-2-tert-butyl-6,7-diisopropoxy-1,4-dihydroisoquinoline-3,5,8-trione
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Formula C26H33NO5
InChI InChI=1S/C26H33NO5/c1-15(2)31-23-21(28)19-14-27(26(5,6)7)25(30)18(13-17-11-9-8-10-12-17)20(19)22(29)24(23)32-16(3)4/h8-12,15-16,18H,13-14H2,1-7H3
InChIKey WZZFBBMMPSTFQP-UHFFFAOYSA-N
Molecular Weight 439.552 g/mol
SMILES C1N(C(C(C=2C(C(=C(C(C12)=O)OC(C)C)OC(C)C)=O)Cc1ccccc1)=O)C(C)(C)C
SPLASH splash10-052f-9087700000-3063548abec5e790e38e
Source of Spectrum J-64-6886-1
Wiley ID 1531011