| SpectraBase Compound ID | 8QSY2TTrdp3 |
|---|---|
| InChI | InChI=1S/C17H22N2O3/c1-22-14-7-4-13(5-8-14)6-9-17(20)18-15-10-12-19(21)11-2-3-16(15)19/h4-9,15-16H,2-3,10-12H2,1H3,(H,18,20)/b9-6+/t15-,16+,19?/m1/s1 |
| InChIKey | VPPDVMIBZXNZES-ADYZLOQKSA-N |
| Mol Weight | 302.37 g/mol |
| Molecular Formula | C17H22N2O3 |
| Exact Mass | 302.163043 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Cvr5Z0y703e |
|---|---|
| Name | Iso-absouline - N-oxide |
| Alternate Name(s) | Absouline - N-Oxide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H22N2O3 |
| InChI | InChI=1S/C17H22N2O3/c1-22-14-7-4-13(5-8-14)6-9-17(20)18-15-10-12-19(21)11-2-3-16(15)19/h4-9,15-16H,2-3,10-12H2,1H3,(H,18,20)/b9-6+/t15-,16+,19?/m1/s1 |
| InChIKey | VPPDVMIBZXNZES-ADYZLOQKSA-N |
| Molecular Weight | 302.374 g/mol |
| SMILES | N([C@]1([C@]2([N+](CC1)([O-])CCC2)[H])[H])C(\C=C\c1ccc(cc1)OC)=O |
| SPLASH | splash10-0a4i-3900000000-b8f4d800b5ee94abf175 |
| Source of Spectrum | X2-50-629-6 |
| Wiley ID | 1602289 |