| SpectraBase Spectrum ID |
5HGWZRDYqs5 |
| Name |
1-Hexen-3-one, 1-(decahydro-2,8A-dimethyl-1-naphthalenyl)-, [1.alpha.(E),2.beta.,4A.beta.,8A.alpha.]-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.229665585 u |
| Formula |
C18H30O |
| InChI |
InChI=1S/C18H30O/c1-4-7-16(19)11-12-17-14(2)9-10-15-8-5-6-13-18(15,17)3/h11-12,14-15,17H,4-10,13H2,1-3H3/b12-11+/t14-,15-,17+,18+/m0/s1 |
| InChIKey |
NDNMRNJIUPCTJJ-ODXJHSBLSA-N |
| Molecular Weight |
262.437 g/mol |
| SMILES |
[C@]12([C@](\C=C\C(=O)CCC)([C@@](C)(CC[C@@]2(CCCC1)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86113 |
![1-Hexen-3-one, 1-(decahydro-2,8a-dimethyl-1-naphthalenyl)-, [1.alpha.(E),2.beta.,4a.beta.,8a.alpha.]-(.+-.)-](/api/spectrum/5HGWZRDYqs5/structure.png?h=300&w=458 "1-Hexen-3-one, 1-(decahydro-2,8a-dimethyl-1-naphthalenyl)-, [1.alpha.(E),2.beta.,4a.beta.,8a.alpha.]-(.+-.)-")
