| SpectraBase Spectrum ID |
LIYNKdd5Nnw |
| Name |
Naphtho[2,1-B]furan-2(1H)-one, decahydro-6,9A-dimethyl-, [3as-(3A.alpha.,5A.alpha.,6.beta.,9A.beta.,9B.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.161979946 u |
| Formula |
C14H22O2 |
| InChI |
InChI=1S/C14H22O2/c1-9-4-3-7-14(2)10(9)5-6-12-11(14)8-13(15)16-12/h9-12H,3-8H2,1-2H3/t9-,10-,11-,12-,14-/m0/s1 |
| InChIKey |
AJNUQRCBZXMJDX-JNLQPACOSA-N |
| Molecular Weight |
222.328 g/mol |
| SMILES |
[C@]12([C@@]3([C@](OC(C3)=O)([H])CC[C@]1([C@@](C)(CCC2)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987079 |
![Naphtho[2,1-b]furan-2(1H)-one, decahydro-6,9a-dimethyl-, [3aS-(3a.alpha.,5a.alpha.,6.beta.,9a.beta.,9b.alpha.)]-](/api/spectrum/LIYNKdd5Nnw/structure.png?h=300&w=458 "Naphtho[2,1-b]furan-2(1H)-one, decahydro-6,9a-dimethyl-, [3aS-(3a.alpha.,5a.alpha.,6.beta.,9a.beta.,9b.alpha.)]-")
