| SpectraBase Spectrum ID |
Gekc3Rh5o1l |
| Name |
(2R,3S)-2,3-Epoxyneryl benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.156894565 u |
| Formula |
C17H22O3 |
| InChI |
InChI=1S/C17H22O3/c1-13(2)8-7-11-17(3)15(20-17)12-19-16(18)14-9-5-4-6-10-14/h4-6,8-10,15H,7,11-12H2,1-3H3/t15-,17+/m1/s1 |
| InChIKey |
WGYUWCCOWPLEPV-WBVHZDCISA-N |
| Molecular Weight |
274.360 g/mol |
| SMILES |
[C@]1(C)([C@@](COC(C2=CC=CC=C2)=O)(O1)[H])CCC=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978444 |
