| SpectraBase Spectrum ID |
2wnqpfEodfR |
| Name |
(1S,2S,6R)-3-Chloro-6-methoxy-2-((4-methoxybenzyl)oxy)cyclohex-3-enol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.097186788 u |
| Formula |
C15H19ClO4 |
| InChI |
InChI=1S/C15H19ClO4/c1-18-11-5-3-10(4-6-11)9-20-15-12(16)7-8-13(19-2)14(15)17/h3-7,13-15,17H,8-9H2,1-2H3/t13-,14+,15-/m1/s1 |
| InChIKey |
FFRMAPLGOWYBNF-QLFBSQMISA-N |
| SMILES |
C=1C=C(C=CC1CO[C@]1([C@]([C@@](CC=C1Cl)(OC)[H])(O)[H])[H])OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967419 |
