SpectraBase Spectrum ID |
DdVxRm6nvFT |
Name |
(2S,3S)-2-(Phenoxymethyl)-3-propyloxirane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
192.115029753 u |
Formula |
C12H16O2 |
InChI |
InChI=1S/C12H16O2/c1-2-6-11-12(14-11)9-13-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3/t11-,12-/m0/s1 |
InChIKey |
MMNMSAAGHXFXBR-RYUDHWBXSA-N |
Molecular Weight |
192.258 g/mol |
SMILES |
[C@@]1(O[C@]1(CCC)[H])(COC1=CC=CC=C1)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827616 |