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8,21,24,27-Tetraoxa-33,34,35,36-tetraazapentacyclo[27.3.1.12,6.110,14.115,19]hexatriaconta-1(33),2,4,6(36),10,12,14(35),15,17,19(34),29, 31-dodecaene

View entire compound with spectra: 1 MS (GC)

8,21,24,27-Tetraoxa-33,34,35,36-tetraazapentacyclo[27.3.1.12,6.110,14.115,19]hexatriaconta-1(33),2,4,6(36),10,12,14(35),15,17,19(34),29, 31-dodecaene
SpectraBase Compound ID 6H4x7dQHVls
InChI InChI=1S/C28H28N4O4/c1-5-21-17-34-15-13-33-14-16-35-18-22-6-2-10-26(30-22)28-12-4-8-24(32-28)20-36-19-23-7-3-11-27(31-23)25(9-1)29-21/h1-12H,13-20H2
InChIKey HJLDFSVQPPXGCT-UHFFFAOYSA-N
Mol Weight 484.56 g/mol
Molecular Formula C28H28N4O4
Exact Mass 484.211055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6BYXlkIg058
Name 8,21,24,27-Tetraoxa-33,34,35,36-tetraazapentacyclo[27.3.1.12,6.110,14.115,19]hexatriaconta-1(33),2,4,6(36),10,12,14(35),15,17,19(34),29, 31-dodecaene
CAS Registry Number 123098-92-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28N4O4
InChI InChI=1S/C28H28N4O4/c1-5-21-17-34-15-13-33-14-16-35-18-22-6-2-10-26(30-22)28-12-4-8-24(32-28)20-36-19-23-7-3-11-27(31-23)25(9-1)29-21/h1-12H,13-20H2
InChIKey HJLDFSVQPPXGCT-UHFFFAOYSA-N
Molecular Weight 484.556 g/mol
SMILES c1-2nc(COCCOCCOCc3cccc(-c4nc(COCc5nc2ccc5)ccc4)n3)ccc1
SPLASH splash10-000b-0910000000-7720412a083f2b34e01f
Source of Spectrum J-54-5109-5
Synonyms 8,21,24,27-tetraoxa-33,34,35,36-tetraazapentacyclo[28.3.1.(2,6).1(10,14).1(15,19)]hexatriaconta-1(33),2,4,6, (34),10,12,14(35),15,17,19(36),29,31-dodecaene
Wiley ID 1396048