| SpectraBase Spectrum ID |
IeSmBIcEchi |
| Name |
Cyclohept[E]inden-4(1H)-one, 2,3,3A,5,5A,6,7,8,10A,10B-decahydro-7-hydroxy-3A,5A,9-trimethyl-1-(1- methylethyl)-, [1S-(1.alpha.,3A.beta.,5.alpha..alpha.,7.beta.,10A.beta.,10B.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.240230268 u |
| Formula |
C20H32O2 |
| InChI |
InChI=1S/C20H32O2/c1-12(2)15-6-7-20(5)17(22)11-19(4)10-14(21)8-13(3)9-16(19)18(15)20/h9,12,14-16,18,21H,6-8,10-11H2,1-5H3/t14-,15+,16+,18+,19+,20+/m1/s1 |
| InChIKey |
VVNIZLYDLPGALL-VRYCVARASA-N |
| Molecular Weight |
304.474 g/mol |
| SMILES |
[C@@]12([C@]3([C@](CC[C@]3(C(C)C)[H])(C)C(C[C@@]1(C[C@](O)(CC(=C2)C)[H])C)=O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826066 |
![Cyclohept[e]inden-4(1H)-one, 2,3,3a,5,5a,6,7,8,10a,10b-decahydro-7-hydroxy-3a,5a,9-trimethyl-1-(1- methylethyl)-, [1S-(1.alpha.,3a.beta.,5.alpha..alpha.,7.beta.,10a.beta.,10b.alpha.)]-](/api/spectrum/IeSmBIcEchi/structure.png?h=300&w=458 "Cyclohept[e]inden-4(1H)-one, 2,3,3a,5,5a,6,7,8,10a,10b-decahydro-7-hydroxy-3a,5a,9-trimethyl-1-(1- methylethyl)-, [1S-(1.alpha.,3a.beta.,5.alpha..alpha.,7.beta.,10a.beta.,10b.alpha.)]-")
