![Acetic acid, 7,7,10a,12a-tetramethyl-1,5-dioxo-1,2,3,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-hexadecahydronaphtho[2,1-f]isoquinolin-8-yl ester](/api/spectrum/FEAYiWQO3db/structure.png?h=300&w=458 "Acetic acid, 7,7,10a,12a-tetramethyl-1,5-dioxo-1,2,3,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-hexadecahydronaphtho[2,1-f]isoquinolin-8-yl ester")
| SpectraBase Compound ID | 9RpYvQI1VGO |
|---|---|
| InChI | InChI=1S/C23H33NO4/c1-13(25)28-18-7-10-22(4)14-6-9-23(5)15(8-11-24-20(23)27)19(14)16(26)12-17(22)21(18,2)3/h12,14-15,18-19H,6-11H2,1-5H3,(H,24,27) |
| InChIKey | FCSGPKUYFKNTLG-UHFFFAOYSA-N |
| Mol Weight | 387.5 g/mol |
| Molecular Formula | C23H33NO4 |
| Exact Mass | 387.240959 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FEAYiWQO3db |
|---|---|
| Name | Acetic acid, 7,7,10A,12A-tetramethyl-1,5-dioxo-1,2,3,4,4A,4B,5,7,8,9,10,10A,10B,11,12,12A-hexadecahydronaphtho[2,1-F]isoquinolin-8-yl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 387.240958543 u |
| Formula | C23H33NO4 |
| InChI | InChI=1S/C23H33NO4/c1-13(25)28-18-7-10-22(4)14-6-9-23(5)15(8-11-24-20(23)27)19(14)16(26)12-17(22)21(18,2)3/h12,14-15,18-19H,6-11H2,1-5H3,(H,24,27) |
| InChIKey | FCSGPKUYFKNTLG-UHFFFAOYSA-N |
| Molecular Weight | 387.520 g/mol |
| SMILES | CC1(C)C2=CC(=O)C3C4CCNC(C4(C)CCC3C2(C)CCC1OC(C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.828691 |