| SpectraBase Spectrum ID |
3TBeXIV5mj7 |
| Name |
1-(1-Naphthyl)-4-tert-butyl-2-oxobut-3-yne |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.135765199 u |
| Formula |
C18H18O |
| InChI |
InChI=1S/C18H18O/c1-18(2,3)12-11-16(19)13-15-9-6-8-14-7-4-5-10-17(14)15/h4-10H,13H2,1-3H3 |
| InChIKey |
DVZCSCDBWPIHTC-UHFFFAOYSA-N |
| Molecular Weight |
250.341 g/mol |
| SMILES |
C(#CC(CC1=C2C(C=CC=C2)=CC=C1)=O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93176 |
