| SpectraBase Compound ID | 8VeL53CHVQB |
|---|---|
| InChI | InChI=1S/C24H39NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17,19-20,22,27H,7-12,14H2,1-6H3/b16-13+/t15-,17?,19?,20-,22?,24+/m1/s1 |
| InChIKey | GMHWATCMBXIANN-FUMUPSGESA-N |
| Mol Weight | 405.6 g/mol |
| Molecular Formula | C24H39NO4 |
| Exact Mass | 405.287909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6rgki15y1AW |
|---|---|
| Name | 2-(Dimethylamino)ethyl (2E)-(3-hydroxy-14-methyl-7-oxopodocarpan-13-ylidene)ethanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 405.287908736 u |
| Formula | C24H39NO4 |
| InChI | InChI=1S/C24H39NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17,19-20,22,27H,7-12,14H2,1-6H3/b16-13+/t15-,17?,19?,20-,22?,24+/m1/s1 |
| InChIKey | GMHWATCMBXIANN-FUMUPSGESA-N |
| Molecular Weight | 405.579 g/mol |
| SMILES | [C@]12(C(C(C)(C)[C@@](CC2)(O)[H])CC(C2C1CC\C(=C/C(=O)OCCN(C)C)[C@]2(C)[H])=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.829594 |