7,23-Dibenzyl-3,11,19,27-tetraoxo-1,4,7,10,13,17,20,23,26,29-decaazatricyclo[27.3.2.2(13,17)]hexatriacontane

SpectraBase Compound ID	K1RFzUKz7zS
InChI	InChI=1S/C40H62N10O4/c51-37-31-45-17-7-19-47(27-25-45)33-39(53)43-15-23-50(30-36-11-5-2-6-12-36)24-16-44-40(54)34-48-20-8-18-46(26-28-48)32-38(52)42-14-22-49(21-13-41-37)29-35-9-3-1-4-10-35/h1-6,9-12H,7-8,13-34H2,(H,41,51)(H,42,52)(H,43,53)(H,44,54)
InChIKey	ADOAFLHMCBDRMW-UHFFFAOYSA-N Google Search
Mol Weight	747.0 g/mol
Molecular Formula	C40H62N10O4
Exact Mass	746.495551 g/mol

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SpectraBase Spectrum ID	FA3FF3RnJDQ
Name	7,23-Dibenzyl-3,11,19,27-tetraoxo-1,4,7,10,13,17,20,23,26,29-decaazatricyclo[27.3.2.2(13,17)]hexatriacontane
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	746.495550512 u
Formula	C40H62N10O4
InChI	InChI=1S/C40H62N10O4/c51-37-31-45-17-7-19-47(27-25-45)33-39(53)43-15-23-50(30-36-11-5-2-6-12-36)24-16-44-40(54)34-48-20-8-18-46(26-28-48)32-38(52)42-14-22-49(21-13-41-37)29-35-9-3-1-4-10-35/h1-6,9-12H,7-8,13-34H2,(H,41,51)(H,42,52)(H,43,53)(H,44,54)
InChIKey	ADOAFLHMCBDRMW-UHFFFAOYSA-N
SMILES	C1(NCCN(CC=2C=CC=CC2)CCNC(CN2CCN(CC(NCCN(CCNC(CN3CCN(C1)CCC3)=O)CC=1C=CC=CC1)=O)CCC2)=O)=O