| SpectraBase Spectrum ID |
9rAr67s2VbD |
| Name |
1-Bromo-4-hydroxy-5,6-[o,o-isopropylidene]-3-methoxycyclohex-1-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.015371959 u |
| Formula |
C10H15BrO4 |
| InChI |
InChI=1S/C10H15BrO4/c1-10(2)14-8-5(11)4-6(13-3)7(12)9(8)15-10/h4,6-9,12H,1-3H3/t6-,7+,8+,9-/m0/s1 |
| InChIKey |
QIEYOGFTPWVLTR-KDXUFGMBSA-N |
| SMILES |
[C@@]12([C@@](C(Br)=C[C@@]([C@]2(O)[H])(OC)[H])(OC(O1)(C)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871961 |
![1-Bromo-4-hydroxy-5,6-[o,o-isopropylidene]-3-methoxycyclohex-1-ene](/api/spectrum/9rAr67s2VbD/structure.png?h=300&w=458 "1-Bromo-4-hydroxy-5,6-[o,o-isopropylidene]-3-methoxycyclohex-1-ene")
