| SpectraBase Spectrum ID |
9Mian9NUQ40 |
| Name |
(5R)-Isopentenyl-2-methyl-3-(4-methylphenyl)-cyclohex-2-enone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.151415263 u |
| Formula |
C17H20O |
| InChI |
InChI=1S/C17H20O/c1-11(2)15-9-16(13(4)17(18)10-15)14-7-5-12(3)6-8-14/h5-8,15H,1,9-10H2,2-4H3/t15-/m1/s1 |
| InChIKey |
TUUOXXQGMZXVNR-OAHLLOKOSA-N |
| Molecular Weight |
240.346 g/mol |
| SMILES |
C1(=O)C(C)=C(C[C@](C1)(C(=C)C)[H])C1=CC=C(C)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957826 |
