| SpectraBase Spectrum ID |
3GXZ0Ycc0u |
| Name |
4-bromophenyacyl (2S)-2-methylbutyrate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15BrO3 |
| InChI |
InChI=1S/C13H15BrO3/c1-3-9(2)13(16)17-8-12(15)10-4-6-11(14)7-5-10/h4-7,9H,3,8H2,1-2H3/t9-/m0/s1 |
| InChIKey |
DWEPOSPZDCKWMK-VIFPVBQESA-N |
| Instrument Name |
Hewlett-Packard 5890-II-JEOL SX-102A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np070093z |
| Molecular Weight |
299.164 g/mol |
| Optical Rotation |
[a]D = +18 (c = 1.0, MeOH) |
| SMILES |
c1(ccc(cc1)C(=O)COC([C@](CC)(C)[H])=O)Br |
| SPLASH |
splash10-00xr-4900000000-56f200cea1c641b93e68 |
| Source of Spectrum |
G4-70-1033-1033-5 |
| Wiley ID |
1874545 |
