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4-(4-Bromophenyl)-5-methyl-2-[2-(3-methyl-2,3-dihydrobenzofuran-3-ylmethyl)allyl]-1,3,3a.alpha.,4.beta.,6.alpha.,.beta.,6a.alpha.-hexahydropyrrolo[3,4-c]pyrrole-1,3-dione
SpectraBase Compound ID 8qwkMBluSgh
InChI InChI=1S/C26H27BrN2O3/c1-16(12-26(2)15-32-21-7-5-4-6-20(21)26)13-29-24(30)19-14-28(3)23(22(19)25(29)31)17-8-10-18(27)11-9-17/h4-11,19,22-23H,1,12-15H2,2-3H3/t19-,22-,23+,26?/m0/s1
InChIKey XTEWHWQCAILAGQ-MAOXOFKSSA-N
Mol Weight 495.42 g/mol
Molecular Formula C26H27BrN2O3
Exact Mass 494.120506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 70ei6sXDBVs
Name 4-(4-Bromophenyl)-5-methyl-2-[2-(3-methyl-2,3-dihydrobenzofuran-3-ylmethyl)allyl]-1,3,3a.alpha.,4.beta.,6.alpha.,.beta.,6a.alpha.-hexahydropyrrolo[3,4-c]pyrrole-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27BrN2O3
InChI InChI=1S/C26H27BrN2O3/c1-16(12-26(2)15-32-21-7-5-4-6-20(21)26)13-29-24(30)19-14-28(3)23(22(19)25(29)31)17-8-10-18(27)11-9-17/h4-11,19,22-23H,1,12-15H2,2-3H3/t19-,22-,23+,26?/m0/s1
InChIKey XTEWHWQCAILAGQ-MAOXOFKSSA-N
Molecular Weight 495.417 g/mol
SMILES C1(N(C([C@]2(CN([C@@]([C@@]12[H])(c1ccc(cc1)Br)[H])C)[H])=O)CC(CC1(c2c(cccc2)OC1)C)=C)=O
SPLASH splash10-053r-0901000000-fd4761c6c54d702bd965
Source of Spectrum KC-57-7988-23
Wiley ID 1625870