| SpectraBase Spectrum ID |
E45zYv8HdUU |
| Name |
(Phenylmethyl) 3-[(2R)-5-oxidanyloxolan-2-yl]propanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.120509056 u |
| Formula |
C14H18O4 |
| InChI |
InChI=1S/C14H18O4/c15-13(8-6-12-7-9-14(16)18-12)17-10-11-4-2-1-3-5-11/h1-5,12,14,16H,6-10H2/t12-,14?/m0/s1 |
| InChIKey |
MANNIYJGVPCHTE-NBFOIZRFSA-N |
| Molecular Weight |
250.294 g/mol |
| SMILES |
C1(O[C@](CC1)(CCC(=O)OCC=1C=CC=CC1)[H])O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852648 |
![(phenylmethyl) 3-[(2R)-5-oxidanyloxolan-2-yl]propanoate](/api/spectrum/E45zYv8HdUU/structure.png?h=300&w=458 "(phenylmethyl) 3-[(2R)-5-oxidanyloxolan-2-yl]propanoate")
