| SpectraBase Compound ID | 709gnjffYFX |
|---|---|
| InChI | InChI=1S/C12H17NO3/c1-7-10-8(4-5-13-7)6-9(14)11(15-2)12(10)16-3/h6-7,13-14H,4-5H2,1-3H3 |
| InChIKey | CKXQLNPKQMIGKU-UHFFFAOYSA-N |
| Mol Weight | 223.27 g/mol |
| Molecular Formula | C12H17NO3 |
| Exact Mass | 223.120843 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BglTSjpgJjV |
|---|---|
| Name | Isoanhalonidine |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H17NO3 |
| InChI | InChI=1S/C12H17NO3/c1-7-10-8(4-5-13-7)6-9(14)11(15-2)12(10)16-3/h6-7,13-14H,4-5H2,1-3H3 |
| InChIKey | CKXQLNPKQMIGKU-UHFFFAOYSA-N |
| Molecular Weight | 223.272 g/mol |
| SMILES | N1CCc2c(c(c(c(c2)O)OC)OC)C1C |
| SPLASH | splash10-0a4i-0090000000-25645d99550fb433097e |
| Source of Spectrum | X2-49-765-75 |
| Wiley ID | 1602062 |