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10,24-dimethyl-6,7,8,9,10,11,12,13,20,21,22,23,24,25,26,27-hexadecahydrodicyclohepta[b,m][1,4,8,12,15,19]hexaazacyclodocosine
SpectraBase Compound ID 8MFSAJKFmVk
InChI InChI=1S/C28H42N6/c1-33-21-9-17-29-25-13-5-3-7-15-27(25)31-19-11-23-34(2)24-12-20-32-28-16-8-4-6-14-26(28)30-18-10-22-33/h3-8,13-16,29,32H,9-12,17-24H2,1-2H3/b30-26+,31-27+
InChIKey JTJAEMFBZUMGBD-DFHJQSNHSA-N
Mol Weight 462.7 g/mol
Molecular Formula C28H42N6
Exact Mass 462.347095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNXyZA7DePy
Name 10,24-dimethyl-6,7,8,9,10,11,12,13,20,21,22,23,24,25,26,27-hexadecahydrodicyclohepta[b,m][1,4,8,12,15,19]hexaazacyclodocosine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42N6
InChI InChI=1S/C28H42N6/c1-33-21-9-17-29-25-13-5-3-7-15-27(25)31-19-11-23-34(2)24-12-20-32-28-16-8-4-6-14-26(28)30-18-10-22-33/h3-8,13-16,29,32H,9-12,17-24H2,1-2H3/b30-26+,31-27+
InChIKey JTJAEMFBZUMGBD-DFHJQSNHSA-N
Molecular Weight 462.686 g/mol
SMILES N1C=2\C(=N\CCCN(CCCNC=3\C(=N\CCCN(CCC1)C)C=CC=CC3)C)C=CC=CC2
SPLASH splash10-0002-0900200000-3abe79eda097f3f9d16f
Source of Spectrum H1-37-948-7
Synonyms 10,24-Dimethyl-6,7,8,9,11,12,13,20,21,22,23,25,26,27-tetradecahydrodicyclohepta[b,m][1,4,8,12,15,19]hexazacyclodocosine 10,24-Dimethyl-6,7,8,9,12,13,20,21,22,23,26,27-11H,27H-dodecahydrodicyclohepta[b,m][1,4,8,12,15,19]hexazacyclodocosine
Wiley ID 755819