| SpectraBase Spectrum ID |
BVemZGnLuRJ |
| Name |
(2S,3R)-3-Propyl-2-oxiranecarboxylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
158.094294308 u |
| Formula |
C8H14O3 |
| InChI |
InChI=1S/C8H14O3/c1-3-5-6-7(11-6)8(9)10-4-2/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1 |
| InChIKey |
MRUCFECRMITDHC-RQJHMYQMSA-N |
| Molecular Weight |
158.197 g/mol |
| SMILES |
[C@]1(O[C@@]1(CCC)[H])(C(=O)OCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876214 |
