| SpectraBase Spectrum ID |
3kAiPNfOVyJ |
| Name |
(1S,2S)-2-(2,4-Dibromophenoxy)-1,2-dihydronaphthalen-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
393.920405624 u |
| Formula |
C16H12Br2O2 |
| InChI |
InChI=1S/C16H12Br2O2/c17-11-6-8-14(13(18)9-11)20-15-7-5-10-3-1-2-4-12(10)16(15)19/h1-9,15-16,19H/t15-,16-/m0/s1 |
| InChIKey |
MYZGIIYBUBGVGJ-HOTGVXAUSA-N |
| Molecular Weight |
396.078 g/mol |
| SMILES |
C1=CC=C2C(=C1)C=C[C@](OC1=CC=C(C=C1Br)Br)([C@]2(O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929847 |
