| SpectraBase Spectrum ID |
1bO2dsiTIiR |
| Name |
(1S,3S,4R,5R)-5-Hydroxy-3-butanoyloxy-4-ethyl-1-(methoxycarbonyl)cyclohexane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.162373868 u |
| Formula |
C14H24O5 |
| InChI |
InChI=1S/C14H24O5/c1-4-6-13(16)19-12-8-9(14(17)18-3)7-11(15)10(12)5-2/h9-12,15H,4-8H2,1-3H3/t9-,10+,11+,12-/m0/s1 |
| InChIKey |
FVBBVKSWFDUIHQ-QCNOEVLYSA-N |
| Molecular Weight |
272.341 g/mol |
| SMILES |
[C@@]1([C@@]([C@](O)(C[C@@](C1)(C(=O)OC)[H])[H])(CC)[H])(OC(=O)CCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903233 |
