| SpectraBase Spectrum ID |
CAP1eV9lYa3 |
| Name |
(+-)-(4-bromophenyl){(2R,3S)-3-[(S)-1-hydroxy-1-phenylmethyl]oxiran-2-yl}methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.004807276 u |
| Formula |
C16H13BrO3 |
| InChI |
InChI=1S/C16H13BrO3/c17-12-8-6-11(7-9-12)14(19)16-15(20-16)13(18)10-4-2-1-3-5-10/h1-9,13,15-16,18H/t13-,15-,16-/m0/s1 |
| InChIKey |
JFCXUSBJIZKCPC-BPUTZDHNSA-N |
| Molecular Weight |
333.181 g/mol |
| SMILES |
[C@]1([C@]([C@](C2=CC=CC=C2)(O)[H])(O1)[H])(C(C1=CC=C(C=C1)Br)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9288 |
![(+-)-(4-bromophenyl){(2R,3S)-3-[(S)-1-hydroxy-1-phenylmethyl]oxiran-2-yl}methanone](/api/spectrum/CAP1eV9lYa3/structure.png?h=300&w=458 "(+-)-(4-bromophenyl){(2R,3S)-3-[(S)-1-hydroxy-1-phenylmethyl]oxiran-2-yl}methanone")
