| SpectraBase Spectrum ID |
Kk9yJoMJgHL |
| Name |
(7R,5ar,9as)-7-Isopropyl-9A-methylchromeno[2,3-E]cyclohex-8-en-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.177630011 u |
| Formula |
C17H24O2 |
| InChI |
InChI=1S/C17H24O2/c1-11(2)12-7-8-17(3)13(9-12)10-14-15(18)5-4-6-16(14)19-17/h7-8,11-13H,4-6,9-10H2,1-3H3/t12-,13-,17-/m1/s1 |
| InChIKey |
ZKUHJRMSWMCDTA-PBFPGSCMSA-N |
| Molecular Weight |
260.377 g/mol |
| SMILES |
C12=C(O[C@]3([C@@](C2)(C[C@@](C=C3)(C(C)C)[H])[H])C)CCCC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944552 |
![(7R,5aR,9aS)-7-Isopropyl-9a-methylchromeno[2,3-e]cyclohex-8-en-4-one](/api/spectrum/Kk9yJoMJgHL/structure.png?h=300&w=458 "(7R,5aR,9aS)-7-Isopropyl-9a-methylchromeno[2,3-e]cyclohex-8-en-4-one")
