| SpectraBase Spectrum ID |
7EV66YGxwcN |
| Name |
Azuleno[6,5-B]furan-2(3H)-one, 5-(acetyloxy)decahydro-4A,8-dimethyl-, (3A.alpha.,4A.beta.,5.beta.,7A.alpha.,8.beta.,9A.alpha.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.167459249 u |
| Formula |
C16H24O4 |
| InChI |
InChI=1S/C16H24O4/c1-9-6-13-11(7-15(18)20-13)8-16(3)12(9)4-5-14(16)19-10(2)17/h9,11-14H,4-8H2,1-3H3/t9-,11?,12?,13?,14-,16-/m1/s1 |
| InChIKey |
ABABCJQICUXUGA-WEZLMGJQSA-N |
| SMILES |
[C@@]12(C([C@@](CC3OC(CC3C1)=O)(C)[H])CC[C@]2(OC(=O)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844595 |
![Azuleno[6,5-b]furan-2(3H)-one, 5-(acetyloxy)decahydro-4a,8-dimethyl-, (3a.alpha.,4a.beta.,5.beta.,7a.alpha.,8.beta.,9a.alpha.)-(.+-.)-](/api/spectrum/7EV66YGxwcN/structure.png?h=300&w=458 "Azuleno[6,5-b]furan-2(3H)-one, 5-(acetyloxy)decahydro-4a,8-dimethyl-, (3a.alpha.,4a.beta.,5.beta.,7a.alpha.,8.beta.,9a.alpha.)-(.+-.)-")
