| SpectraBase Spectrum ID |
9hxoVl3Drtg |
| Name |
(S)-2-(1-(4-Chlorbenzoyl)-5-methoxy-2-methylindol-3-acetyl)-oxybutan-1,4-dicarbonic acid dimethylester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
501.119044429 u |
| Formula |
C25H24ClNO8 |
| InChI |
InChI=1S/C25H24ClNO8/c1-14-18(12-23(29)35-21(25(31)34-4)13-22(28)33-3)19-11-17(32-2)9-10-20(19)27(14)24(30)15-5-7-16(26)8-6-15/h5-11,21H,12-13H2,1-4H3/t21-/m0/s1 |
| InChIKey |
YWFMOBLAKNMGJX-NRFANRHFSA-N |
| Molecular Weight |
501.919 g/mol |
| SMILES |
C([C@@](C(=O)OC)(OC(CC=1C2=C(C=CC(=C2)OC)N(C(=O)C2=CC=C(C=C2)Cl)C1C)=O)[H])C(=O)OC |
