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12-[(5-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 q6F5vVNFTM
InChI InChI=1S/C33H35N3O7/c1-33(2,3)21-10-11-24(37)20(16-21)17-36-14-12-34-27(38)18-42-25-8-4-6-22-29(25)32(41)30-23(31(22)40)7-5-9-26(30)43-19-28(39)35-13-15-36/h4-11,16,37H,12-15,17-19H2,1-3H3,(H,34,38)(H,35,39)
InChIKey VOOBEFHUIAJOMN-UHFFFAOYSA-N
Mol Weight 585.7 g/mol
Molecular Formula C33H35N3O7
Exact Mass 585.2475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSeO7VdJuL0
Name 12-[(5-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 C33H35N3O7
InChI InChI=1S/C33H35N3O7/c1-33(2,3)21-10-11-24(37)20(16-21)17-36-14-12-34-27(38)18-42-25-8-4-6-22-29(25)32(41)30-23(31(22)40)7-5-9-26(30)43-19-28(39)35-13-15-36/h4-11,16,37H,12-15,17-19H2,1-3H3,(H,34,38)(H,35,39)
InChIKey VOOBEFHUIAJOMN-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.1811
Molecular Weight 585.657 g/mol
SMILES N1C(COc2cccc3c2C(c2c(cccc2OCC(=O)NCCN(Cc2c(ccc(c2)C(C)(C)C)O)CC1)C3=O)=O)=O
SPLASH splash10-0uxr-7292000000-a72322f8cf8bf12624a5
Source of Spectrum Y-53-172-172-3
Thin-Layer Chromatography Rf = 0.15 (EtOAc)
Wiley ID 1877525