| SpectraBase Compound ID | LX4ornWc2Xi |
|---|---|
| InChI | InChI=1S/C16H17NO4/c18-10-1-2-16-11-5-13-12(20-8-21-13)3-9(11)6-17(7-15(16)19)14(16)4-10/h1-3,5,10,14-15,18-19H,4,6-8H2/t10-,14-,15+,16-/m0/s1 |
| InChIKey | KWAOMPWGIIXDPH-LTTZEQNMSA-N |
| Mol Weight | 287.31 g/mol |
| Molecular Formula | C16H17NO4 |
| Exact Mass | 287.115758 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L896HWNCor5 |
|---|---|
| Name | Hamayne |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H17NO4 |
| InChI | InChI=1S/C16H17NO4/c18-10-1-2-16-11-5-13-12(20-8-21-13)3-9(11)6-17(7-15(16)19)14(16)4-10/h1-3,5,10,14-15,18-19H,4,6-8H2/t10-,14-,15+,16-/m0/s1 |
| InChIKey | KWAOMPWGIIXDPH-LTTZEQNMSA-N |
| Instrument Name | Agilent 7890A-Quad 7000 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/pca.2865 |
| Molecular Weight | 287.315 g/mol |
| SMILES | O[C@@]1(CN2[C@@]3([C@]1(C=C[C@@](C3)(O)[H])c1cc3OCOc3cc1C2)[H])[H] |
| SPLASH | splash10-0a4i-0490000000-d666deb4a351c2358d11 |
| Source of Spectrum | PA-31-51-14 |
| Wiley ID | 1840308 |