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9,22-Dioxa-1,12,13,14,25,26-hexaazapentacyclo[22.2.1.111,14.02,7.015,20]octacosa-2,4,6,11(28),12, 15,17,19,24(27),25-decaene-8,21-dione

View entire compound with spectra: 1 MS (GC)

9,22-Dioxa-1,12,13,14,25,26-hexaazapentacyclo[22.2.1.111,14.02,7.015,20]octacosa-2,4,6,11(28),12, 15,17,19,24(27),25-decaene-8,21-dione
SpectraBase Compound ID 9t18ebIDHeK
InChI InChI=1S/C20H14N6O4/c27-19-15-5-1-3-7-17(15)25-9-13(21-23-25)12-30-20(28)16-6-2-4-8-18(16)26-10-14(11-29-19)22-24-26/h1-10H,11-12H2
InChIKey DDQLTNXFDUTZOK-UHFFFAOYSA-N
Mol Weight 402.37 g/mol
Molecular Formula C20H14N6O4
Exact Mass 402.107653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWMG9lQfcqK
Name 9,22-Dioxa-1,12,13,14,25,26-hexaazapentacyclo[22.2.1.111,14.02,7.015,20]octacosa-2,4,6,11(28),12, 15,17,19,24(27),25-decaene-8,21-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14N6O4
InChI InChI=1S/C20H14N6O4/c27-19-15-5-1-3-7-17(15)25-9-13(21-23-25)12-30-20(28)16-6-2-4-8-18(16)26-10-14(11-29-19)22-24-26/h1-10H,11-12H2
InChIKey DDQLTNXFDUTZOK-UHFFFAOYSA-N
Molecular Weight 402.370 g/mol
SMILES c12nn[n](c2)-c2c(C(OCc3c[n](-c4c(C(OC1)=O)cccc4)nn3)=O)cccc2
SPLASH splash10-0udi-0201900000-e2c4bc9618f29c16e80b
Source of Spectrum Y-50-533-5a
Wiley ID 1736686