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1,16-Ethenofuro[3,4-l][1,5,10]triazacyclohexadecine, benzamide deriv.
SpectraBase Compound ID L02NmPxIvjP
InChI InChI=1S/C40H50N4O7/c1-28(46)42-21-7-8-22-43(23-9-20-41-39(48)31-11-5-4-6-12-31)40(49)37-34-27-32(35(19-26-45)44(29(2)47)25-10-24-42)15-18-36(34)51-38(37)30-13-16-33(50-3)17-14-30/h4-6,11-18,27,35,37-38,45H,7-10,19-26H2,1-3H3,(H,41,48)/i26D2
InChIKey HFEHVHDGKJHFQL-JOCNJJTCSA-N
Mol Weight 700.9 g/mol
Molecular Formula C40H482D2N4O7
Exact Mass 700.380503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qaLm380Op7
Name 1,16-Ethenofuro[3,4-l][1,5,10]triazacyclohexadecine, benzamide deriv.
CAS Registry Number 69721-85-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H48D2N4O7
InChI InChI=1S/C40H50N4O7/c1-28(46)42-21-7-8-22-43(23-9-20-41-39(48)31-11-5-4-6-12-31)40(49)37-34-27-32(35(19-26-45)44(29(2)47)25-10-24-42)15-18-36(34)51-38(37)30-13-16-33(50-3)17-14-30/h4-6,11-18,27,35,37-38,45H,7-10,19-26H2,1-3H3,(H,41,48)/i26D2
InChIKey HFEHVHDGKJHFQL-JOCNJJTCSA-N
Molecular Weight 700.873 g/mol
SMILES N(C(=O)c1ccccc1)CCCN1CCCCN(CCCN(C(CC(O)([2D])[2D])c2ccc3c(C(C1=O)C(O3)c1ccc(cc1)OC)c2)C(=O)C)C(=O)C
SPLASH splash10-074l-2900000000-45149dda73c93bc9a5c3
Source of Spectrum H-61-2670-0
Wiley ID 128380