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2-[3-(2,6-Dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindo-5-yl)benzyl]isoindole-1,3-dione
SpectraBase Compound ID 9EkAKC9K9Af
InChI InChI=1S/C25H22N2O4/c1-14-11-20-21(23(29)26(2)22(20)28)12-19(14)16-9-7-15(8-10-16)13-27-24(30)17-5-3-4-6-18(17)25(27)31/h3-10,20-21H,11-13H2,1-2H3/t20-,21+/m0/s1
InChIKey KEUVSSGHYOXRJD-LEWJYISDSA-N
Mol Weight 414.46 g/mol
Molecular Formula C25H22N2O4
Exact Mass 414.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAmY6YEopCZ
Name 2-[3-(2,6-Dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindo-5-yl)benzyl]isoindole-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22N2O4
InChI InChI=1S/C25H22N2O4/c1-14-11-20-21(23(29)26(2)22(20)28)12-19(14)16-9-7-15(8-10-16)13-27-24(30)17-5-3-4-6-18(17)25(27)31/h3-10,20-21H,11-13H2,1-2H3/t20-,21+/m0/s1
InChIKey KEUVSSGHYOXRJD-LEWJYISDSA-N
Molecular Weight 414.461 g/mol
SMILES C1(N(C(c2ccccc12)=O)Cc1ccc(C2=C(C[C@@]3(C(=O)N(C([C@@]3(C2)[H])=O)C)[H])C)cc1)=O
SPLASH splash10-03xr-0840900000-82b4cb963bc4cdea197d
Source of Spectrum F-57-10353-19
Wiley ID 1626865