| SpectraBase Spectrum ID |
DxXMTlgvQxC |
| Name |
(5R)-5-[(1S)-2-Bromo-1-methoxy-1-methyl-ethyl]-2-methyl-3-phenyl-cyclohex-2-en-1-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.072492914 u |
| Formula |
C17H21BrO2 |
| InChI |
InChI=1S/C17H21BrO2/c1-12-15(13-7-5-4-6-8-13)9-14(10-16(12)19)17(2,11-18)20-3/h4-8,14H,9-11H2,1-3H3/t14-,17-/m1/s1 |
| InChIKey |
ZSMYYNJUVRVIHQ-RHSMWYFYSA-N |
| Molecular Weight |
337.257 g/mol |
| SMILES |
C1(=C(C(=O)C[C@@](C1)([C@](OC)(CBr)C)[H])C)C=1C=CC=CC1 |
![(5R)-5-[(1S)-2-bromo-1-methoxy-1-methyl-ethyl]-2-methyl-3-phenyl-cyclohex-2-en-1-one](/api/spectrum/DxXMTlgvQxC/structure.png?h=300&w=458 "(5R)-5-[(1S)-2-bromo-1-methoxy-1-methyl-ethyl]-2-methyl-3-phenyl-cyclohex-2-en-1-one")
