![(E)-4-[(3R,5S)-5-[(1S)-1-hydroxypropyl]-3-oxolanyl]-2-butenoic acid](/api/spectrum/IWnHQDpFCXo/structure.png?h=300&w=458 "(E)-4-[(3R,5S)-5-[(1S)-1-hydroxypropyl]-3-oxolanyl]-2-butenoic acid")
| SpectraBase Compound ID | 8bee8bB6wcJ |
|---|---|
| InChI | InChI=1S/C11H18O4/c1-2-9(12)10-6-8(7-15-10)4-3-5-11(13)14/h3,5,8-10,12H,2,4,6-7H2,1H3,(H,13,14)/b5-3+/t8-,9+,10+/m1/s1 |
| InChIKey | JWXVXVPNKJNCSL-WTIWNBOUSA-N |
| Mol Weight | 214.26 g/mol |
| Molecular Formula | C11H18O4 |
| Exact Mass | 214.120509 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IWnHQDpFCXo |
|---|---|
| Name | (E)-4-[(3R,5S)-5-[(1S)-1-Hydroxypropyl]-3-oxolanyl]-2-butenoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.120509056 u |
| Formula | C11H18O4 |
| InChI | InChI=1S/C11H18O4/c1-2-9(12)10-6-8(7-15-10)4-3-5-11(13)14/h3,5,8-10,12H,2,4,6-7H2,1H3,(H,13,14)/b5-3+/t8-,9+,10+/m1/s1 |
| InChIKey | JWXVXVPNKJNCSL-WTIWNBOUSA-N |
| Molecular Weight | 214.261 g/mol |
| SMILES | [C@]1(OC[C@@](C1)(C\C=C\C(=O)O)[H])([C@@](O)(CC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.837377 |