| SpectraBase Spectrum ID |
7E5kFCxS1m3 |
| Name |
4,4'-[1'',2''-Dihydroxyethane-1'',2''-diyl]-bis[5'-methyl-2'-oxabicyclo[3.2.0]heptan-2'-one] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.141638422 u |
| Formula |
C16H22O6 |
| InChI |
InChI=1S/C16H22O6/c1-15-5-3-7(15)13(19)21-11(15)9(17)10(18)12-16(2)6-4-8(16)14(20)22-12/h7-12,17-18H,3-6H2,1-2H3/t7-,8-,9-,10-,11+,12+,15-,16-/m0/s1 |
| InChIKey |
RWYSUTQRCIHCBK-FYXPCQCYSA-N |
| Molecular Weight |
310.346 g/mol |
| SMILES |
[C@@]1([C@@]2([C@](C(O1)=O)(CC2)[H])C)([C@]([C@@]([C@@]1([C@@]2([C@](C(O1)=O)(CC2)[H])C)[H])(O)[H])(O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859129 |
![4,4'-[1'',2''-Dihydroxyethane-1'',2''-diyl]-bis[5'-methyl-2'-oxabicyclo[3.2.0]heptan-2'-one]](/api/spectrum/7E5kFCxS1m3/structure.png?h=300&w=458 "4,4'-[1'',2''-Dihydroxyethane-1'',2''-diyl]-bis[5'-methyl-2'-oxabicyclo[3.2.0]heptan-2'-one]")
