| SpectraBase Spectrum ID |
8MO2SS8qsVm |
| Name |
4-(2-Dodecyloxyphenyl)-1,2,3,3A,4,8B-hexahydrocyclopenta[B]indole-7-carbaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.313729562 u |
| Formula |
C30H41NO2 |
| InChI |
InChI=1S/C30H41NO2/c1-2-3-4-5-6-7-8-9-10-13-21-33-30-18-12-11-16-29(30)31-27-17-14-15-25(27)26-22-24(23-32)19-20-28(26)31/h11-12,16,18-20,22-23,25,27H,2-10,13-15,17,21H2,1H3 |
| InChIKey |
ARVFTKXPHRUTMD-UHFFFAOYSA-N |
| Molecular Weight |
447.663 g/mol |
| SMILES |
C1=2N(C3C(C2C=C(C=C1)C=O)CCC3)C1=C(OCCCCCCCCCCCC)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899423 |
![4-(2-Dodecyloxyphenyl)-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole-7-carbaldehyde](/api/spectrum/8MO2SS8qsVm/structure.png?h=300&w=458 "4-(2-Dodecyloxyphenyl)-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole-7-carbaldehyde")
