| SpectraBase Spectrum ID |
3m4fkgUOasY |
| Name |
Bacillariolide III sodium salt |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H15NaO5 |
| InChI |
InChI=1S/C12H16O5.Na/c13-8-6-5-7-11(8)9(17-12(7)16)3-1-2-4-10(14)15;/h1,3,7-9,11,13H,2,4-6H2,(H,14,15);/q;+1/p-1/b3-1-;/t7-,8+,9-,11-;/m0./s1 |
| InChIKey |
MHQFRJGDAWPDCZ-ZWZUFTJDSA-M |
| Molecular Weight |
262.237 g/mol |
| SMILES |
[Na+].O[C@]1([C@@]2([C@@](C(O[C@]2(\C=C/CCC([O-])=O)[H])=O)(CC1)[H])[H])[H] |
| SPLASH |
splash10-00b9-0950000000-e503d6dbb9038e5c8650 |
| Source of Spectrum |
F-56-8094-3 |
| Wiley ID |
858912 |
