| SpectraBase Spectrum ID |
GXYFKXnK9Kq |
| Name |
Bromopropylate |
| CAS Registry Number |
18181-80-1 |
| Classification |
Acaricide |
| 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 |
425.946620372 u |
| Formula |
C17H16Br2O3 |
| InChI |
InChI=1S/C17H16Br2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3 |
| InChIKey |
FOANIXZHAMJWOI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
428.120 g/mol |
| Nominal Mass |
426 u |
| Quality |
946 |
| Retention Index |
2775 |
| SMILES |
OC(C=1C=CC(=CC1)Br)(C1=CC=C(C=C1)Br)C(OC(C)C)=O |
| SPLASH |
splash10-0016-3905000000-5685afbe766bb568e77f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Propan-2-yl-2,2-bis(4-bromophenyl)-2-hydroxy-acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000333 |
