| SpectraBase Spectrum ID |
CUpLhmPh841 |
| Name |
33% o-, 2% m- and 65% p-Isomers |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.234750966 u |
| Formula |
C21H30 |
| InChI |
InChI=1S/C11H16.C10H14/c1-4-10(3)11-7-5-9(2)6-8-11;1-3-9(2)10-7-5-4-6-8-10/h5-8,10H,4H2,1-3H3;4-9H,3H2,1-2H3 |
| InChIKey |
SOXHZYIFMLNTJR-UHFFFAOYSA-N |
| Molecular Weight |
282.471 g/mol |
| Nominal Mass |
282 u |
| SMILES |
CC(CC)C1=CC=C(C=C1)C.CC(CC)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Raman) |
0.91135 |