| SpectraBase Spectrum ID |
KOsmJj1i25W |
| Name |
(2ar,4as,9ar,9bs)-3-(Methoxymethylene)-decahydro-1-oxacycloocta[cd]pentalen-4(2H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.141244501 u |
| Formula |
C14H20O3 |
| InChI |
InChI=1S/C14H20O3/c1-16-7-11-10-8-17-12-6-4-2-3-5-9(13(10)12)14(11)15/h7,9-10,12-13H,2-6,8H2,1H3/b11-7+/t9-,10-,12+,13+/m0/s1 |
| InChIKey |
HISYDICCJIUPDG-ZCWHDKNASA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
[C@]12(\C(C([C@]3(CCCCC[C@]([C@@]23[H])(OC1)[H])[H])=O)=C/OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828768 |
![(2ar,4as,9ar,9bs)-3-(Methoxymethylene)-decahydro-1-oxacycloocta[cd]pentalen-4(2H)-one](/api/spectrum/KOsmJj1i25W/structure.png?h=300&w=458 "(2ar,4as,9ar,9bs)-3-(Methoxymethylene)-decahydro-1-oxacycloocta[cd]pentalen-4(2H)-one")
