| SpectraBase Spectrum ID |
Ey6L7vhnc2M |
| Name |
(1R,2R)-2-(1,3-Benzodioxol-5-yl)-1-cyclopentanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.094294308 u |
| Formula |
C12H14O3 |
| InChI |
InChI=1S/C12H14O3/c13-10-3-1-2-9(10)8-4-5-11-12(6-8)15-7-14-11/h4-6,9-10,13H,1-3,7H2/t9-,10-/m1/s1 |
| InChIKey |
PUKOQKVUTNUAPV-NXEZZACHSA-N |
| Molecular Weight |
206.241 g/mol |
| SMILES |
C1(=CC=2OCOC2C=C1)[C@@]1([C@](O)(CCC1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936384 |
