| SpectraBase Spectrum ID |
B20yrjSQPhi |
| Name |
(+-)-trans-1-acetyloxy-2-bromocycloheptane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.025542721 u |
| Formula |
C9H15BrO2 |
| InChI |
InChI=1S/C9H15BrO2/c1-7(11)12-9-6-4-2-3-5-8(9)10/h8-9H,2-6H2,1H3/t8-,9-/m1/s1 |
| InChIKey |
BWZVCSIDIGVTCS-RKDXNWHRSA-N |
| Molecular Weight |
235.121 g/mol |
| SMILES |
C(O[C@]1([C@](Br)(CCCCC1)[H])[H])(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871198 |
