| SpectraBase Spectrum ID |
IWDuDxew5mF |
| Name |
(6ar,10As)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6A,7,8,10A-tetrahydro-6H-benzo[C]chromene-2-carbaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.219494823 u |
| Formula |
C22H30O3 |
| InChI |
InChI=1S/C22H30O3/c1-5-6-7-8-15-12-19-20(21(24)17(15)13-23)16-11-14(2)9-10-18(16)22(3,4)25-19/h11-13,16,18,24H,5-10H2,1-4H3/t16-,18+/m0/s1 |
| InChIKey |
NQFUEDHWQJVOKZ-FUHWJXTLSA-N |
| Molecular Weight |
342.479 g/mol |
| SMILES |
C1C[C@@]2([C@](C=C1C)(C1=C(OC2(C)C)C=C(C(=C1O)C=O)CCCCC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922316 |
![(6aR,10aS)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-2-carbaldehyde](/api/spectrum/IWDuDxew5mF/structure.png?h=300&w=458 "(6aR,10aS)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-2-carbaldehyde")
