| SpectraBase Spectrum ID |
215IzoATxns |
| Name |
(+)-3-phenyldicyclopentadiene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.125200515 u |
| Formula |
C16H16 |
| InChI |
InChI=1S/C16H16/c1-2-4-11(5-3-1)14-8-9-15-12-6-7-13(10-12)16(14)15/h1-8,12-13,15-16H,9-10H2/t12-,13+,15-,16-/m1/s1 |
| InChIKey |
GNQXMPSPMMWTKI-OCVGTWLNSA-N |
| Molecular Weight |
208.304 g/mol |
| SMILES |
C1=C[C@@]2(C[C@@]1([H])[C@]1([C@]2([H])CC=C1C1=CC=CC=C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855405 |
