| SpectraBase Spectrum ID |
K1jCchNGr5G |
| Name |
Benzene, 1-(1-methyl-2-propenyl)-4-(2-methylpropyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
188.156500644 u |
| Formula |
C14H20 |
| InChI |
InChI=1S/C14H20/c1-5-12(4)14-8-6-13(7-9-14)10-11(2)3/h5-9,11-12H,1,10H2,2-4H3 |
| InChIKey |
BTQVSJCZKMLBFC-UHFFFAOYSA-N |
| Molecular Weight |
188.314 g/mol |
| SMILES |
CC(C1=CC=C(C=C1)CC(C)C)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943737 |