| SpectraBase Spectrum ID |
E7zUSP3LPTo |
| Name |
2-[4-Keto-4-(p-tolyl)butyl]-3-methyl-cyclohept-2-en-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.177630011 u |
| Formula |
C19H24O2 |
| InChI |
InChI=1S/C19H24O2/c1-14-10-12-16(13-11-14)18(20)9-5-7-17-15(2)6-3-4-8-19(17)21/h10-13H,3-9H2,1-2H3 |
| InChIKey |
VZPJEYZSNUKVED-UHFFFAOYSA-N |
| SMILES |
C1(=C(C)CCCCC1=O)CCCC(C=1C=CC(=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98749 |
![2-[4-Keto-4-(p-tolyl)butyl]-3-methyl-cyclohept-2-en-1-one](/api/spectrum/E7zUSP3LPTo/structure.png?h=300&w=458 "2-[4-Keto-4-(p-tolyl)butyl]-3-methyl-cyclohept-2-en-1-one")
