| SpectraBase Spectrum ID |
LmrSyV8djyC |
| Name |
Methyl 4-bromobenzoate-3-d |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.969219209 u |
| Formula |
C8H6DBrO2 |
| InChI |
InChI=1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3/i4D |
| InChIKey |
CZNGTXVOZOWWKM-QYKNYGDISA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202108814 |
| Molecular Weight |
216.052 g/mol |
| Quality |
970 |
| SMILES |
COC(C1=CC(=C(C=C1)Br)[D])=O |
| SPLASH |
splash10-05nr-2920000000-5b7e6dc939040ff31dec |
| Source of Spectrum |
ACI-60-SM28-4a (DOI: 10.1002/anie.202108814) |
| Thin-Layer Chromatography |
0.94 (ethyl acetate/cyclohexane, 1:1 |
| Wiley ID |
1891333 |
