![3-{[(2'-Chlorophenyl)amino]methyl}-3-methyl-4-propyl-10-methoxytricyclo[8.4.0.0]tetradeca-5(14),8,10,12-tetraene](/api/spectrum/8RvhmRDh2QF/structure.png?h=300&w=458 "3-{[(2'-Chlorophenyl)amino]methyl}-3-methyl-4-propyl-10-methoxytricyclo[8.4.0.0]tetradeca-5(14),8,10,12-tetraene")
| SpectraBase Compound ID | D7bKvlOSume |
|---|---|
| InChI | InChI=1S/C26H32ClNO/c1-4-7-23-22-12-10-18-16-19(29-3)11-13-20(18)21(22)14-15-26(23,2)17-28-25-9-6-5-8-24(25)27/h5-6,8-9,11,13,16,23,28H,4,7,10,12,14-15,17H2,1-3H3/t23-,26+/m0/s1 |
| InChIKey | CEMRNUDVMHNPKI-JYFHCDHNSA-N |
| Mol Weight | 410.0 g/mol |
| Molecular Formula | C26H32ClNO |
| Exact Mass | 409.217242 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8RvhmRDh2QF |
|---|---|
| Name | 3-{[(2'-chlorophenyl)amino]methyl}-3-methyl-4-propyl-10-methoxytricyclo[8.4.0.0]tetradeca-5(14),8,10,12-tetraene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 409.217242353 u |
| Formula | C26H32ClNO |
| InChI | InChI=1S/C26H32ClNO/c1-4-7-23-22-12-10-18-16-19(29-3)11-13-20(18)21(22)14-15-26(23,2)17-28-25-9-6-5-8-24(25)27/h5-6,8-9,11,13,16,23,28H,4,7,10,12,14-15,17H2,1-3H3/t23-,26+/m0/s1 |
| InChIKey | CEMRNUDVMHNPKI-JYFHCDHNSA-N |
| Molecular Weight | 410.001 g/mol |
| SMILES | C12=C([C@@](CCC)([H])[C@](CC2)(CNC=2C(Cl)=CC=CC2)C)CCC=2C1=CC=C(OC)C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.884886 |