| SpectraBase Spectrum ID |
Eo4Bsy0iIsS |
| Name |
2-Cyclohexene-1-acetaldehyde, 6-methyl-6-(1,2,3,4-tetrahydro-6-methoxy-1-oxo-2-naphthalenyl)-, [1.alpha.(S*),2.beta.]-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.172544630 u |
| Formula |
C20H24O3 |
| InChI |
InChI=1S/C20H24O3/c1-20(11-4-3-5-15(20)10-12-21)18-9-6-14-13-16(23-2)7-8-17(14)19(18)22/h3,5,7-8,12-13,15,18H,4,6,9-11H2,1-2H3/t15-,18-,20+/m1/s1 |
| InChIKey |
USIPPXUYADJQBQ-ZTNFWEORSA-N |
| Molecular Weight |
312.409 g/mol |
| SMILES |
C1([C@]([C@@]2([C@](C=CCC2)(CC=O)[H])C)(CCC2=C1C=CC(OC)=C2)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832999 |
![2-Cyclohexene-1-acetaldehyde, 6-methyl-6-(1,2,3,4-tetrahydro-6-methoxy-1-oxo-2-naphthalenyl)-, [1.alpha.(S*),2.beta.]-(.+-.)-](/api/spectrum/Eo4Bsy0iIsS/structure.png?h=300&w=458 "2-Cyclohexene-1-acetaldehyde, 6-methyl-6-(1,2,3,4-tetrahydro-6-methoxy-1-oxo-2-naphthalenyl)-, [1.alpha.(S*),2.beta.]-(.+-.)-")
