| SpectraBase Compound ID | JJiiSzgahsX |
|---|---|
| InChI | InChI=1S/C27H37NO/c1-19(2)21-11-13-23-22(17-21)12-14-24-26(23,3)15-8-16-27(24,4)25(29)28-18-20-9-6-5-7-10-20/h5-7,9-10,12,17,19,23-24H,8,11,13-16,18H2,1-4H3,(H,28,29) |
| InChIKey | LHJXIDXEGWFNRV-UHFFFAOYSA-N |
| Mol Weight | 391.6 g/mol |
| Molecular Formula | C27H37NO |
| Exact Mass | 391.287515 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Kzook1biNww |
|---|---|
| Name | N-Benzyl-abietamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 391.287514814 u |
| Formula | C27H37NO |
| InChI | InChI=1S/C27H37NO/c1-19(2)21-11-13-23-22(17-21)12-14-24-26(23,3)15-8-16-27(24,4)25(29)28-18-20-9-6-5-7-10-20/h5-7,9-10,12,17,19,23-24H,8,11,13-16,18H2,1-4H3,(H,28,29) |
| InChIKey | LHJXIDXEGWFNRV-UHFFFAOYSA-N |
| Molecular Weight | 391.599 g/mol |
| SMILES | C12(C(C(C(NCC3=CC=CC=C3)=O)(C)CCC1)CC=C1C2CCC(C(C)C)=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.873385 |