| SpectraBase Compound ID | 3qxw6ZOrJRA |
|---|---|
| InChI | InChI=1S/C16H17NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h1-2,5,7,11,15,18H,3-4,6,8-9H2/t11-,15+,16+/m1/s1 |
| InChIKey | RPAORVSEYNOMBR-RLCCDNCMSA-N |
| Mol Weight | 271.32 g/mol |
| Molecular Formula | C16H17NO3 |
| Exact Mass | 271.120843 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EIXBVFSViv9 |
|---|---|
| Name | Vittatine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H17NO3 |
| InChI | InChI=1S/C16H17NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h1-2,5,7,11,15,18H,3-4,6,8-9H2/t11-,15+,16+/m1/s1 |
| InChIKey | RPAORVSEYNOMBR-RLCCDNCMSA-N |
| Instrument Name | Agilent 7890A-Quad 7000 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/pca.2865 |
| Molecular Weight | 271.316 g/mol |
| SMILES | O[C@@]1(C=C[C@]23c4c(cc5OCOc5c4)CN([C@]2(C1)[H])CC3)[H] |
| SPLASH | splash10-00ds-0930000000-fa597ebf45324f1596e0 |
| Source of Spectrum | PA-31-50-9 |
| Wiley ID | 1840326 |