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4,4',4''',4'''',6,6',6''',6''''-Octaazahexa-m-phenylene
SpectraBase Compound ID 2qYo2u0WFVP
InChI InChI=1S/C28H16N8/c1-3-17-7-18(4-1)22-10-26(34-14-30-22)28-12-24(32-16-36-28)20-6-2-5-19(8-20)23-11-27(35-15-31-23)25-9-21(17)29-13-33-25/h1-16H
InChIKey VREQOKNLQXDDGP-UHFFFAOYSA-N
Mol Weight 464.49 g/mol
Molecular Formula C28H16N8
Exact Mass 464.149793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EjCMMtKi5TA
Name 4,4',4''',4'''',6,6',6''',6''''-Octaazahexa-m-phenylene
Alternate Name(s) 1,2,4,5(4,6)-tetrapyrimidina-3,6(1,3)-dibenzenacyclohexaphane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H16N8
InChI InChI=1S/C28H16N8/c1-3-17-7-18(4-1)22-10-26(34-14-30-22)28-12-24(32-16-36-28)20-6-2-5-19(8-20)23-11-27(35-15-31-23)25-9-21(17)29-13-33-25/h1-16H
InChIKey VREQOKNLQXDDGP-UHFFFAOYSA-N
Molecular Weight 464.492 g/mol
SMILES c1ccc-2cc1-c1cc(ncn1)-c1cc(ncn1)-c1cc(-c3ncnc(-c4ncnc2c4)c3)ccc1
SPLASH splash10-03di-0000900000-aedd1191953d855187ed
Source of Spectrum K-113-2747-9
Wiley ID 1794408