| SpectraBase Spectrum ID |
2hHZxtC5Km6 |
| Name |
(S)-6-Hexyl-3,4,5,6-tetrahydrocyclopenta[B]pyran-7(2H)-one |
| 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/c1-2-3-4-5-7-11-10-12-8-6-9-16-14(12)13(11)15/h11H,2-10H2,1H3/t11-/m0/s1 |
| InChIKey |
UXTVEGYFMFUSIW-NSHDSACASA-N |
| Molecular Weight |
222.328 g/mol |
| SMILES |
C12=C(CCCO2)C[C@@](C1=O)(CCCCCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820556 |
![(S)-6-Hexyl-3,4,5,6-tetrahydrocyclopenta[b]pyran-7(2H)-one](/api/spectrum/2hHZxtC5Km6/structure.png?h=300&w=458 "(S)-6-Hexyl-3,4,5,6-tetrahydrocyclopenta[b]pyran-7(2H)-one")
