| SpectraBase Spectrum ID |
2nx6bWrKqcC |
| Name |
3-Bromobenzoic acid butyl ester |
| CAS Registry Number |
78987-67-4 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
256.009892657 u |
| Formula |
C11H13BrO2 |
| InChI |
InChI=1S/C11H13BrO2/c1-2-3-7-14-11(13)9-5-4-6-10(12)8-9/h4-6,8H,2-3,7H2,1H3 |
| InChIKey |
YPWFBIDTZDWFQZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
257.127 g/mol |
| Nominal Mass |
256 u |
| Quality |
972 |
| Retention Index |
1577 |
| SMILES |
C=1(C(OCCCC)=O)C=C(C=CC1)Br |
| SPLASH |
splash10-0zfr-6970000000-793b80aa3d74b2cad794 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
butyl 3-bromobenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005337 |
