| SpectraBase Spectrum ID |
EJ7OV8ZCS4v |
| Name |
2-[(3R,4S)-4-Methyl-5-oxidanylidene-4-propanoyl-oxolan-3-yl]propan-2-yl ethanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.131073739 u |
| Formula |
C13H20O5 |
| InChI |
InChI=1S/C13H20O5/c1-6-10(15)13(5)9(7-17-11(13)16)12(3,4)18-8(2)14/h9H,6-7H2,1-5H3/t9-,13+/m1/s1 |
| InChIKey |
NNHZYAHYYUOFMN-RNCFNFMXSA-N |
| Molecular Weight |
256.298 g/mol |
| SMILES |
[C@@]1([C@@](C(OC(=O)C)(C)C)(COC1=O)[H])(C(=O)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940961 |
![2-[(3R,4S)-4-methyl-5-oxidanylidene-4-propanoyl-oxolan-3-yl]propan-2-yl ethanoate](/api/spectrum/EJ7OV8ZCS4v/structure.png?h=300&w=458 "2-[(3R,4S)-4-methyl-5-oxidanylidene-4-propanoyl-oxolan-3-yl]propan-2-yl ethanoate")
