![trans,trans-3,3,7,7,10,10,14,14-Octamethyl-1,2,3,4,4a,7,7a,8,9,10,11,11a,12,14,14a-tetradecahydroquino[2,3-b]acridine](/api/spectrum/IFEKJR5bZOU/structure.png?h=300&w=458 "trans,trans-3,3,7,7,10,10,14,14-Octamethyl-1,2,3,4,4a,7,7a,8,9,10,11,11a,12,14,14a-tetradecahydroquino[2,3-b]acridine")
| SpectraBase Compound ID | ErXv28seez4 |
|---|---|
| InChI | InChI=1S/C28H42N2/c1-25(2)11-9-17-23(15-25)29-21-13-20-22(14-19(21)27(17,5)6)30-24-16-26(3,4)12-10-18(24)28(20,7)8/h13-14,17-18,23-24H,9-12,15-16H2,1-8H3 |
| InChIKey | SPWSUOAXUOZKGA-UHFFFAOYSA-N |
| Mol Weight | 406.7 g/mol |
| Molecular Formula | C28H42N2 |
| Exact Mass | 406.334799 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IFEKJR5bZOU |
|---|---|
| Name | Trans,trans-3,3,7,7,10,10,14,14-octamethyl-1,2,3,4,4A,7,7A,8,9,10,11,11A,12,14,14A-tetradecahydroquino[2,3-B]acridine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 406.334799360 u |
| Formula | C28H42N2 |
| InChI | InChI=1S/C28H42N2/c1-25(2)11-9-17-23(15-25)29-21-13-20-22(14-19(21)27(17,5)6)30-24-16-26(3,4)12-10-18(24)28(20,7)8/h13-14,17-18,23-24H,9-12,15-16H2,1-8H3 |
| InChIKey | SPWSUOAXUOZKGA-UHFFFAOYSA-N |
| Molecular Weight | 406.658 g/mol |
| SMILES | C=12C(=NC3CC(C)(C)CCC3C2(C)C)C=C2C(C1)=NC1CC(C)(C)CCC1C2(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950781 |