![Methyl 12-[(p-methoxyphenyl)amino]-14-amino-dehydroabietate](/api/spectrum/FdRJ56GEZOD/structure.png?h=300&w=458 "Methyl 12-[(p-methoxyphenyl)amino]-14-amino-dehydroabietate")
| SpectraBase Compound ID | 6GvwVhnVs7T |
|---|---|
| InChI | InChI=1S/C28H38N2O3/c1-17(2)24-22(30-18-8-10-19(32-5)11-9-18)16-21-20(25(24)29)12-13-23-27(21,3)14-7-15-28(23,4)26(31)33-6/h8-11,16-17,23,30H,7,12-15,29H2,1-6H3/t23?,27-,28-/m1/s1 |
| InChIKey | PAZHDTCIWVRWHZ-QSFNAEDHSA-N |
| Mol Weight | 450.6 g/mol |
| Molecular Formula | C28H38N2O3 |
| Exact Mass | 450.288243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FdRJ56GEZOD |
|---|---|
| Name | Methyl 12-[(p-methoxyphenyl)amino]-14-amino-dehydroabietate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 450.288243089 u |
| Formula | C28H38N2O3 |
| InChI | InChI=1S/C28H38N2O3/c1-17(2)24-22(30-18-8-10-19(32-5)11-9-18)16-21-20(25(24)29)12-13-23-27(21,3)14-7-15-28(23,4)26(31)33-6/h8-11,16-17,23,30H,7,12-15,29H2,1-6H3/t23?,27-,28-/m1/s1 |
| InChIKey | PAZHDTCIWVRWHZ-QSFNAEDHSA-N |
| Molecular Weight | 450.623 g/mol |
| SMILES | C1=2[C@@]3(C([C@@](C(=O)OC)(C)CCC3)CCC2C(N)=C(C(=C1)NC=1C=CC(=CC1)OC)C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.826486 |