| SpectraBase Spectrum ID |
6xUr9mvgBQA |
| Name |
(4R,5R)-2-Carbethoxyy-5,6-dihydroxy-5,6-o-methyliethylidene-4-hexanolide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.110338294 u |
| Formula |
C12H18O6 |
| InChI |
InChI=1S/C12H18O6/c1-4-15-10(13)7-5-8(17-11(7)14)9-6-16-12(2,3)18-9/h7-9H,4-6H2,1-3H3/t7?,8-,9-/m1/s1 |
| InChIKey |
WSLLUNDTWDCFQO-CFCGPWAMSA-N |
| Molecular Weight |
258.270 g/mol |
| SMILES |
C1(C(O[C@](C1)([C@@]1(OC(C)(C)OC1)[H])[H])=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.989347 |
