| SpectraBase Spectrum ID |
AARhVHoabCh |
| Name |
(4as,5as,9ar)-4A-Methyloctahydrobenzo[1,4]cyclobuta[1,2-B]pyran-6(7H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
194.130679818 u |
| Formula |
C12H18O2 |
| InChI |
InChI=1S/C12H18O2/c1-11-5-3-7-14-12(11)6-2-4-10(13)9(12)8-11/h9H,2-8H2,1H3/t9-,11+,12-/m1/s1 |
| InChIKey |
QKFDHZDRILDNOE-ADEWGFFLSA-N |
| Molecular Weight |
194.274 g/mol |
| SMILES |
C1C([C@]2([H])[C@@]3([C@](C2)(CCCO3)C)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844389 |
![(4as,5as,9ar)-4A-Methyloctahydrobenzo[1,4]cyclobuta[1,2-B]pyran-6(7H)-one](/api/spectrum/AARhVHoabCh/structure.png?h=300&w=458 "(4as,5as,9ar)-4A-Methyloctahydrobenzo[1,4]cyclobuta[1,2-B]pyran-6(7H)-one")
