| SpectraBase Spectrum ID |
KRKT2mjMyc4 |
| Name |
Dibenzo[B,I][1,4,8,11]tetraazacyclotetradecine, 5,14-dihydro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.137496531 u |
| Formula |
C18H16N4 |
| InChI |
InChI=1S/C18H16N4/c1-2-8-16-15(7-1)19-11-5-13-21-17-9-3-4-10-18(17)22-14-6-12-20-16/h1-14,19,22H/b11-5-,14-6-,20-12+,21-13+ |
| InChIKey |
RAODJYCNADIZQD-LSKHOPHBSA-N |
| SMILES |
C1=2\N=C\C=C/NC3=C(\N=C\C=C/NC2C=CC=C1)C=CC=C3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853721 |
![Dibenzo[b,i][1,4,8,11]tetraazacyclotetradecine, 5,14-dihydro-](/api/spectrum/KRKT2mjMyc4/structure.png?h=300&w=458 "Dibenzo[b,i][1,4,8,11]tetraazacyclotetradecine, 5,14-dihydro-")
