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5-Methyl-1-[6-{3-(indazol-5-yl)imino-2-oxo-indolyl}hexyl]-3-(indazol-5-yl)imino-1H-indol-2-one
SpectraBase Compound ID 7WHfLloTXAG
InChI InChI=1S/C37H32N8O2/c1-23-10-15-33-29(18-23)35(41-27-12-14-31-25(20-27)22-39-43-31)37(47)45(33)17-7-3-2-6-16-44-32-9-5-4-8-28(32)34(36(44)46)40-26-11-13-30-24(19-26)21-38-42-30/h4-5,8-15,18-22H,2-3,6-7,16-17H2,1H3,(H,38,42)(H,39,43)
InChIKey JVTXLJGRHRVKDW-UHFFFAOYSA-N
Mol Weight 620.7 g/mol
Molecular Formula C37H32N8O2
Exact Mass 620.264822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOy3t5UOIkC
Name 5-Methyl-1-[6-{3-(indazol-5-yl)imino-2-oxo-indolyl}hexyl]-3-(indazol-5-yl)imino-1H-indol-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H32N8O2
InChI InChI=1S/C37H32N8O2/c1-23-10-15-33-29(18-23)35(41-27-12-14-31-25(20-27)22-39-43-31)37(47)45(33)17-7-3-2-6-16-44-32-9-5-4-8-28(32)34(36(44)46)40-26-11-13-30-24(19-26)21-38-42-30/h4-5,8-15,18-22H,2-3,6-7,16-17H2,1H3,(H,38,42)(H,39,43)
InChIKey JVTXLJGRHRVKDW-UHFFFAOYSA-N
Instrument Name Jeol-JMS-DX 303
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.712
Molecular Weight 620.717 g/mol
SMILES [nH]1ncc2cc(N=C3c4c(N(CCCCCCN5C(C(=Nc6ccc7c(c6)cn[nH]7)c6c5ccc(c6)C)=O)C3=O)cccc4)ccc12
SPLASH splash10-001i-0930010000-b6b4a8e9a4724ca6c73c
Source of Spectrum ARK-2009-123-3e
Wiley ID 1866671