| SpectraBase Spectrum ID |
8r9l6DQ9Zwv |
| Name |
(3R*,5R*)-3-Ferrocenyl-4-(methoxycarbonyl)-2-methylisoxazolidine |
| Comments |
Less than 3 mono-isotopic peaks; Note: The molecular formula of the structure shown is C16H20FeNO3 - which differs from the formula reported for the mass spectrum (C16H19FeNO3) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H19FeNO3 |
| InChI |
InChI=1S/C6H10NO3.2C5H5.Fe/c1-7-4-3-5(10-7)6(8)9-2;2*1-2-4-5-3-1;/h4-5H,3H2,1-2H3;2*1-5H;/t5-;;;/m0.../s1 |
| InChIKey |
VNVUYWWMMKUJMG-BHRFRFAJSA-N |
| Molecular Weight |
330.185 g/mol |
| SMILES |
[C@]12([Fe]3456789([C@]2([C@@]5([C@@]4([C@]13[H])[H])[H])[H])([C@]1([C@@]6([C@@]7([C@@]8([C@@]91[H])[H])[H])[H])[H])[C@]1(N(O[C@@](C1)(C(=O)OC)[H])C)[H])[H] |
| SPLASH |
splash10-002f-0098000000-83e01f91eaca19f74b50 |
| Source of Spectrum |
Y-37-1059-8 |
| Wiley ID |
762807 |
