| SpectraBase Spectrum ID |
2c8mfkZl9Og |
| Name |
1,9-di-Isopropyl-3.beta.-hydroxy-7.alpha.-methoxy-2,8,12-trioxatetracyclo[7.2.1.0(.4,11)0.(6,10)]dodecane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.178023932 u |
| Formula |
C16H26O5 |
| InChI |
InChI=1S/C16H26O5/c1-7(2)15-11-9(13(17)19-15)6-10-12(11)16(21-15,8(3)4)20-14(10)18-5/h7-14,17H,6H2,1-5H3/t9?,10?,11?,12?,13-,14-,15?,16?/m1/s1 |
| InChIKey |
DAWSAALMKHMARQ-JGCONVRKSA-N |
| SMILES |
C12(OC3(O[C@@](OC)(C4C3C2C(C4)[C@@](O1)(O)[H])[H])C(C)C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8702 |
![1,9-Di-isopropyl-3.beta.-hydroxy-7.alpha.-methoxy-2,8,12-trioxatetracyclo[7.2.1.0(.4,11)0.(6,10)]dodecane](/api/spectrum/2c8mfkZl9Og/structure.png?h=300&w=458 "1,9-Di-isopropyl-3.beta.-hydroxy-7.alpha.-methoxy-2,8,12-trioxatetracyclo[7.2.1.0(.4,11)0.(6,10)]dodecane")
