| SpectraBase Spectrum ID |
B2vqTQnvI2a |
| Name |
16,21-Dimethyl-4,9-methanocyclotetracosa-2,4,6,8,10,13,15,21,23-nonaene-17,19-diyne-1,12-dione dioxime |
| Alternate Name(s) |
(4Z,17E)-8,13-dimethylbicyclo[18.4.1]pentacosa-1(24),2,5,7,13,15,18,20,22-nonaene-9,11-diyne-4,17-dione dioxime |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H24N2O2 |
| InChI |
InChI=1S/C27H24N2O2/c1-22-9-3-4-10-23(2)12-8-16-27(29-31)20-18-25-14-6-5-13-24(21-25)17-19-26(28-30)15-7-11-22/h5-8,11-20,30-31H,21H2,1-2H3/b15-7-,16-8-,19-17-,20-18-,22-11-,23-12-,28-26-,29-27+ |
| InChIKey |
HDZHGNYMHHRJNI-SNSCEXSWSA-N |
| Molecular Weight |
408.501 g/mol |
| SMILES |
O\N=C\1\C=C/C2=CC=CC=C(\C=C/C(=N\O)\C=C/C=C\(C#CC#C\C(=C/C=C\1)C)C)C2 |
| SPLASH |
splash10-0udi-9000000000-eb9bf4a1fe08f0459423 |
| Source of Spectrum |
KC-1993-981-9 |
| Wiley ID |
779415 |
