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3,6-Dioxaoctylene bis-3-(4-chlorophenyl)-4,6-dimethoxyindole-7-carboxamide
SpectraBase Compound ID Ho5tyAicG9W
InChI InChI=1S/C40H40Cl2N4O8/c1-49-29-19-31(51-3)35(37-33(29)27(21-45-37)23-5-9-25(41)10-6-23)39(47)43-13-15-53-17-18-54-16-14-44-40(48)36-32(52-4)20-30(50-2)34-28(22-46-38(34)36)24-7-11-26(42)12-8-24/h5-12,19-22,45-46H,13-18H2,1-4H3,(H,43,47)(H,44,48)
InChIKey BHUCPILGGJPJEI-UHFFFAOYSA-N
Mol Weight 775.7 g/mol
Molecular Formula C40H40Cl2N4O8
Exact Mass 774.22232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLK29xQot9A
Name 3,6-Dioxaoctylene bis-3-(4-chlorophenyl)-4,6-dimethoxyindole-7-carboxamide
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H40Cl2N4O8
InChI InChI=1S/C40H40Cl2N4O8/c1-49-29-19-31(51-3)35(37-33(29)27(21-45-37)23-5-9-25(41)10-6-23)39(47)43-13-15-53-17-18-54-16-14-44-40(48)36-32(52-4)20-30(50-2)34-28(22-46-38(34)36)24-7-11-26(42)12-8-24/h5-12,19-22,45-46H,13-18H2,1-4H3,(H,43,47)(H,44,48)
InChIKey BHUCPILGGJPJEI-UHFFFAOYSA-N
Instrument Name VG Quattro
Ionization Type EI positive ion
Literature Reference DOI 10.24820/ark.5550190.p011.708
Molecular Weight 775.686 g/mol
SMILES N1C=2C(C(NCCOCCOCCNC(C3=C4C(=C(C=C3OC)OC)C(=CN4)C3=CC=C(C=C3)Cl)=O)=O)=C(C=C(C2C(C=2C=CC(Cl)=CC2)=C1)OC)OC
SPLASH splash10-054o-0000950600-11acaafc2b8b82102041
Source of Spectrum ARK-2022-77-10 (DOI: 10.24820/ark.5550190.p011.708)
Wiley ID 1896881