| SpectraBase Spectrum ID |
J1vUWtXMHOW |
| Name |
1(2H)-Naphthalenone, 2-[2-(3-butenyl)-4-hydroxy-1-methylcyclohexyl]-3,4-dihydro-6-methoxy- , [1.alpha.(R*),2.beta.,4.beta.]-(.+-.)- |
| 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/c1-4-5-6-16-14-17(23)11-12-22(16,2)20-10-7-15-13-18(25-3)8-9-19(15)21(20)24/h4,8-9,13,16-17,20,23H,1,5-7,10-12,14H2,2-3H3/t16?,17-,20-,22-/m1/s1 |
| InChIKey |
NCTYYMYGSLRASM-RTIVQEIQSA-N |
| Molecular Weight |
342.479 g/mol |
| SMILES |
C1([C@]([C@]2(C(C[C@@](CC2)(O)[H])CCC=C)C)(CCC2=C1C=CC(OC)=C2)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866576 |
![1(2H)-Naphthalenone, 2-[2-(3-butenyl)-4-hydroxy-1-methylcyclohexyl]-3,4-dihydro-6-methoxy- , [1.alpha.(R*),2.beta.,4.beta.]-(.+-.)-](/api/spectrum/J1vUWtXMHOW/structure.png?h=300&w=458 "1(2H)-Naphthalenone, 2-[2-(3-butenyl)-4-hydroxy-1-methylcyclohexyl]-3,4-dihydro-6-methoxy- , [1.alpha.(R*),2.beta.,4.beta.]-(.+-.)-")
