| SpectraBase Spectrum ID |
8HVJfK97lNQ |
| Name |
Chlorotrianisene |
| CAS Registry Number |
569-57-3 |
| Classification |
Pharmaceutical drug, estrogen |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
380.117922233 u |
| Formula |
C23H21ClO3 |
| InChI |
InChI=1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3 |
| InChIKey |
BFPSDSIWYFKGBC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
380.871 g/mol |
| Nominal Mass |
380 u |
| Quality |
969 |
| Retention Index |
2793 |
| SMILES |
C(=C(C1=CC=C(C=C1)OC)Cl)(C1=CC=C(C=C1)OC)C=1C=CC(=CC1)OC |
| SPLASH |
splash10-001i-0639000000-61bc4cd4d6130ee58be6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-[2-Chloro-1,2-bis(4-methoxyphenyl)ethenyl]-4-methoxy-benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000657 |
