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12-[(3,5-di-tert-butyl-2-hydroxyphenyl)methyl]-6,18-dioxa-9,12,15-triazatetracyclo[21.3.1.0(5,26).0(19,24)]heptacosa-1(26),2,4,19,21,23-hexaene-8,16,25,27-tetrone
SpectraBase Compound ID KE5VKSpx6uM
InChI InChI=1S/C37H43N3O7/c1-36(2,3)23-17-22(33(43)26(18-23)37(4,5)6)19-40-15-13-38-29(41)20-46-27-11-7-9-24-31(27)35(45)32-25(34(24)44)10-8-12-28(32)47-21-30(42)39-14-16-40/h7-12,17-18,43H,13-16,19-21H2,1-6H3,(H,38,41)(H,39,42)
InChIKey IMHOPPMNDKUJMN-UHFFFAOYSA-N
Mol Weight 641.8 g/mol
Molecular Formula C37H43N3O7
Exact Mass 641.310101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5kVJzRjSHmx
Name 12-[(3,5-di-tert-butyl-2-hydroxyphenyl)methyl]-6,18-dioxa-9,12,15-triazatetracyclo[21.3.1.0(5,26).0(19,24)]heptacosa-1(26),2,4,19,21,23-hexaene-8,16,25,27-tetrone
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H43N3O7
InChI InChI=1S/C37H43N3O7/c1-36(2,3)23-17-22(33(43)26(18-23)37(4,5)6)19-40-15-13-38-29(41)20-46-27-11-7-9-24-31(27)35(45)32-25(34(24)44)10-8-12-28(32)47-21-30(42)39-14-16-40/h7-12,17-18,43H,13-16,19-21H2,1-6H3,(H,38,41)(H,39,42)
InChIKey IMHOPPMNDKUJMN-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.1811
Molecular Weight 641.765 g/mol
SMILES N1C(COc2cccc3c2C(c2c(cccc2OCC(=O)NCCN(Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O)CC1)C3=O)=O)=O
SPLASH splash10-0udi-3390000000-df577ab26dff006090bb
Source of Spectrum Y-53-172-172-4
Thin-Layer Chromatography Rf = 0.53 (EtOH/EtOAc, 1:10)
Wiley ID 1877526