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2-(2-pentyl-7,8-dihydrocyclohepta[b]pyrrol-1(6H)-yl)isoindoline-1,3-dione
SpectraBase Compound ID 5F0KSf1sbSJ
InChI InChI=1S/C22H24N2O2/c1-2-3-5-11-17-15-16-10-6-4-7-14-20(16)23(17)24-21(25)18-12-8-9-13-19(18)22(24)26/h6,8-10,12-13,15H,2-5,7,11,14H2,1H3
InChIKey KBSTXAIZRHERCZ-UHFFFAOYSA-N
Mol Weight 348.45 g/mol
Molecular Formula C22H24N2O2
Exact Mass 348.183778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0kyCCQXcAC
Name 2-(2-pentyl-7,8-dihydrocyclohepta[b]pyrrol-1(6H)-yl)isoindoline-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24N2O2
InChI InChI=1S/C22H24N2O2/c1-2-3-5-11-17-15-16-10-6-4-7-14-20(16)23(17)24-21(25)18-12-8-9-13-19(18)22(24)26/h6,8-10,12-13,15H,2-5,7,11,14H2,1H3
InChIKey KBSTXAIZRHERCZ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol901649p
Molecular Weight 348.446 g/mol
SMILES C=1CCCc2c(C1)cc([n]2N1C(c2c(C1=O)cccc2)=O)CCCCC
SPLASH splash10-0006-6933000000-0b5b1214eb03414106c5
Source of Spectrum A1-11-4002/SM20-7d
Wiley ID 1757371