| SpectraBase Spectrum ID |
5uTycqe88Ls |
| Name |
1,9-di-N-Butyl-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 |
326.209324061 u |
| Formula |
C18H30O5 |
| InChI |
InChI=1S/C18H30O5/c1-4-6-8-17-13-11(15(19)21-17)10-12-14(13)18(23-17,9-7-5-2)22-16(12)20-3/h11-16,19H,4-10H2,1-3H3/t11?,12?,13?,14?,15-,16-,17?,18?/m1/s1 |
| InChIKey |
KACGMAUBALSHNZ-UFMYBWCNSA-N |
| Molecular Weight |
326.433 g/mol |
| SMILES |
C12(C3C4C(CC3[C@@](O1)(O)[H])[C@@](OC4(O2)CCCC)(OC)[H])CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932237 |
![1,9-Di-n-butyl-3.beta.-hydroxy-7.alpha.-methoxy-2,8,12-trioxatetracyclo[7.2.1.0(.4,11)0.(6,10)]dodecane](/api/spectrum/5uTycqe88Ls/structure.png?h=300&w=458 "1,9-Di-n-butyl-3.beta.-hydroxy-7.alpha.-methoxy-2,8,12-trioxatetracyclo[7.2.1.0(.4,11)0.(6,10)]dodecane")
