| SpectraBase Spectrum ID |
F2YBhqHIL8M |
| Name |
3,13-Diisopropyl-6,7,8,9,16,17,18,19-octahydrodicyclohepta-[B,I]-[1,4,8,11]-tetraazacyclotetradecine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.293997175 u |
| Formula |
C26H36N4 |
| InChI |
InChI=1S/C26H36N4/c1-19(2)21-7-11-23-24(12-8-21)28-16-6-18-30-26-14-10-22(20(3)4)9-13-25(26)29-17-5-15-27-23/h7-14,19-20,27,30H,5-6,15-18H2,1-4H3/b28-24-,29-25- |
| InChIKey |
GLVXFPKZHRXTEJ-OYUJONNZSA-N |
| Molecular Weight |
404.602 g/mol |
| SMILES |
C=12NCCC\N=C/3C(NCCC\N=C/2C=CC(=CC1)C(C)C)=CC=C(C=C3)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828755 |
![3,13-Diisopropyl-6,7,8,9,16,17,18,19-octahydrodicyclohepta-[B,I]-[1,4,8,11]-tetraazacyclotetradecine](/api/spectrum/F2YBhqHIL8M/structure.png?h=300&w=458 "3,13-Diisopropyl-6,7,8,9,16,17,18,19-octahydrodicyclohepta-[B,I]-[1,4,8,11]-tetraazacyclotetradecine")
