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3-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-amino]-4-ethoxy-cyclobut-3-ene-1,2-dione
SpectraBase Compound ID 6cDSjiNNr8z
InChI InChI=1S/C24H26N2O3/c1-3-29-24-21(22(27)23(24)28)25(2)15-8-16-26-19-11-6-4-9-17(19)13-14-18-10-5-7-12-20(18)26/h4-7,9-12H,3,8,13-16H2,1-2H3
InChIKey SXYDCXHVBBFNIR-UHFFFAOYSA-N
Mol Weight 390.48 g/mol
Molecular Formula C24H26N2O3
Exact Mass 390.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Kh3TmdpmUx
Name 3-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-amino]-4-ethoxy-cyclobut-3-ene-1,2-dione
CAS Registry Number 131589-04-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26N2O3
InChI InChI=1S/C24H26N2O3/c1-3-29-24-21(22(27)23(24)28)25(2)15-8-16-26-19-11-6-4-9-17(19)13-14-18-10-5-7-12-20(18)26/h4-7,9-12H,3,8,13-16H2,1-2H3
InChIKey SXYDCXHVBBFNIR-UHFFFAOYSA-N
Molecular Weight 390.483 g/mol
SMILES C1(=C(N(CCCN2c3c(CCc4c2cccc4)cccc3)C)C(C1=O)=O)OCC
SPLASH splash10-052g-1986000000-ea287219ca0459894e99
Source of Spectrum K-124-1219-3
Synonyms 3-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-amino]-4-ethoxy-cyclobut-3-ene-1,2-quinone
Wiley ID 1365022