| SpectraBase Spectrum ID |
3yI0wwSJ60t |
| Name |
Methyl 3-(12'-methyl-9',10'-dihydro-9',10'-ethanoanthracene-11'-yl)-3-oxo-2-(triphenylphosphoranylidene)propanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
580.216731918 u |
| Formula |
C39H33O3P |
| InChI |
InChI=1S/C39H33O3P/c1-26-34-30-22-12-14-24-32(30)36(33-25-15-13-23-31(33)34)35(26)37(40)38(39(41)42-2)43(27-16-6-3-7-17-27,28-18-8-4-9-19-28)29-20-10-5-11-21-29/h3-26,34-36H,1-2H3 |
| InChIKey |
PXRXJZMIRBVKQW-UHFFFAOYSA-N |
| Molecular Weight |
580.664 g/mol |
| SMILES |
C(C([C@@]1([C@]2(C=3C=CC=CC3[C@]([C@]1(C)[H])(C1=CC=CC=C21)[H])[H])[H])=O)(=P(C1=CC=CC=C1)(C1=CC=CC=C1)C=1C=CC=CC1)C(=O)OC |
