| SpectraBase Spectrum ID |
QCRISD2j6C |
| Name |
(2S,4S,5S)-4-Formyl-2-phenyl-5-(2-propenyl)-1,3-dioxacyclohexane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.109944372 u |
| Formula |
C14H16O3 |
| InChI |
InChI=1S/C14H16O3/c1-2-6-12-10-16-14(17-13(12)9-15)11-7-4-3-5-8-11/h2-5,7-9,12-14H,1,6,10H2/t12-,13+,14-/m0/s1 |
| InChIKey |
NZBNNXMSOIGNDG-MJBXVCDLSA-N |
| Molecular Weight |
232.279 g/mol |
| SMILES |
[C@@]1(O[C@@]([C@](CO1)(CC=C)[H])(C=O)[H])(C=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91614 |
