| SpectraBase Spectrum ID |
A4IpEzA6SA |
| Name |
Methyl-3',5'-dichloro-4,4'-di-O-methylatromentate |
| Appearance |
Yellow needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H16Cl2O7 |
| InChI |
InChI=1S/C21H16Cl2O7/c1-27-12-6-4-10(5-7-12)15-17(24)19(30-21(15)26)16(20(25)29-3)11-8-13(22)18(28-2)14(23)9-11/h4-9,24H,1-3H3 |
| InChIKey |
QDZNBMMQDUVSEQ-UHFFFAOYSA-N |
| Instrument Name |
Kratos MS80RFA |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0503395 |
| Molecular Weight |
451.258 g/mol |
| Reported Formula |
C21H16(35)Cl2O7 |
| SMILES |
OC1=C(C(OC1=C(C(=O)OC)c1cc(c(c(c1)Cl)OC)Cl)=O)c1ccc(cc1)OC |
| SPLASH |
splash10-01b9-0505900000-7195e511f5e67fed535c |
| Source of Spectrum |
G4-68-1800-1 |
| Wiley ID |
1879500 |
