| SpectraBase Spectrum ID |
1pfHuzv4k4N |
| Name |
[6,6a,11a-13C3]Coumestrol |
| Comments |
Less than 3 mono-isotopic peaks; Original formula: C12[13C]3H8O5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H8O5 |
| InChI |
InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H/i13+1,14+1,15+1 |
| InChIKey |
ZZIALNLLNHEQPJ-UIDJNKKJSA-N |
| Molecular Weight |
271.201 g/mol |
| SMILES |
Oc1ccc2c(o[13c]-3[13c]2[13C](Oc2cc(ccc32)O)=O)c1 |
| SPLASH |
splash10-001i-0900000000-efc9e4c725e4fa3e9f1b |
| Source of Spectrum |
KC-60-1641-5 |
| Wiley ID |
1583448 |
![[6,6a,11a-13C3]Coumestrol](/api/spectrum/1pfHuzv4k4N/structure.png?h=300&w=458 "[6,6a,11a-13C3]Coumestrol")
